| CAS Number | 1215548-30-3 |
| Catalog Number | AG01E63Q(AGN-PC-0WP0MZ) |
| Chemical Name | CFM 1571 (hydrochloride) |
| IUPAC Name | 2-benzyl-5-[3-(dimethylamino)propoxy]-N-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride |
| InChI | InChI=1S/C23H28N4O3.ClH/c1-26(2)14-7-15-30-22-16-21(27(25-22)17-18-8-5-4-6-9-18)23(28)24-19-10-12-20(29-3)13-11-19;/h4-6,8-13,16H,7,14-15,17H2,1-3H3,(H,24,28);1H |
| InChI Key | DFVHCFCSCUCAPD-UHFFFAOYSA-N |
| MDL Number | MFCD06660413 |
| Molecular Formula | C23H29ClN4O3 |
| Molecular Weight | 444.9544 |
| SMILES | Cl.O=C(C1N(CC2=CC=CC=C2)N=C(OCCCN(C)C)C=1)NC1C=CC(OC)=CC=1 |
| Synonyms | CFM 1571 HYDROCHLORIDE,
1215548-30-3,
SCHEMBL2035215,
AKOS024457183,
CFM 1571 hydrochloride|3-[3-(Dimethylamino)propoxy]-N-(4-methoxyphenyl)-1-(phenylmethyl)-1H-pyrazole-5-carboxamide hydrochloride,
|
| Complexity | 505 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 444.96g/mol |
| Monoisotopic Mass | 444.193g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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