N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide

C21H25N5O — CID 48988900

IUPACN-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N(Cc3nccn3C)C3CC3)cc2)n1
InChIInChI=1S/C21H25N5O/c1-15-12-16(2)26(23-15)13-17-4-6-18(7-5-17)21(27)25(19-8-9-19)14-20-22-10-11-24(20)3/h4-7,10-12,19H,8-9,13-14H2,1-3H3
InChIKeyNIMRDHIJPHSWHA-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.09
Rot. Bonds6

About N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide

N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 48988900) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID48988900
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N(Cc3nccn3C)C3CC3)cc2)n1
InChIInChI=1S/C21H25N5O/c1-15-12-16(2)26(23-15)13-17-4-6-18(7-5-17)21(27)25(19-8-9-19)14-20-22-10-11-24(20)3/h4-7,10-12,19H,8-9,13-14H2,1-3H3
InChIKeyNIMRDHIJPHSWHA-UHFFFAOYSA-N
XLogP3.09
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
CID 153572417
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
GS-444217
CID 57504987
4-N-cyclopentyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288554
4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288555
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71288645
[(7R)-7-methyl-4-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 24964574
2-{(5R)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}5,6,7,8-tetrahydroquinazoline
CID 24965643
7-[(2-Methylimidazol-1-yl)methyl]-2-[(2-methylpyridin-4-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 147934765
7-[(2-Methylimidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(pyridin-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 153238800
2-[(4-Ethylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-[(2-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 153572297
7-[(2-Methylimidazol-1-yl)methyl]-2-[(4-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572325

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 48988900) is N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3nccn3C)C3CC3)cc2)n1.
What is the InChIKey of N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is NIMRDHIJPHSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-12-16(2)26(23-15)13-17-4-6-18(7-5-17)21(27)25(19-8-9-19)14-20-22-10-11-24(20)3/h4-7,10-12,19H,8-9,13-14H2,1-3H3.
What are the key properties of N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide?
N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 363.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 48988900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).