(3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

C19H24N4O — CID 95652926

IUPAC(3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESCc1nn(Cc2ccccc2)c(C)c1[C@@H]1NC(=O)[C@@H]2CCCCN21
InChIInChI=1S/C19H24N4O/c1-13-17(18-20-19(24)16-10-6-7-11-22(16)18)14(2)23(21-13)12-15-8-4-3-5-9-15/h3-5,8-9,16,18H,6-7,10-12H2,1-2H3,(H,20,24)/t16-,18+/m0/s1
InChIKeyJTWHUIWPKYVNNU-FUHWJXTLSA-N
MW324.43 g/mol
LogP2.53
Rot. Bonds3

About (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

(3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (PubChem CID 95652926) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name(3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
PubChem CID95652926
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESCc1nn(Cc2ccccc2)c(C)c1[C@@H]1NC(=O)[C@@H]2CCCCN21
InChIInChI=1S/C19H24N4O/c1-13-17(18-20-19(24)16-10-6-7-11-22(16)18)14(2)23(21-13)12-15-8-4-3-5-9-15/h3-5,8-9,16,18H,6-7,10-12H2,1-2H3,(H,20,24)/t16-,18+/m0/s1
InChIKeyJTWHUIWPKYVNNU-FUHWJXTLSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one with MolForge

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Related Compounds

(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 9296902
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one
CID 85492832
3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 60525654
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 97342997
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]-2-methylpropan-1-one
CID 97343050
(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 35278282
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-cyclopentylthiourea
CID 19677960
[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 53078717
(1-benzyl-3,5-dimethylpyrazol-4-yl)-phenyliodanium
CID 56760721
(2R)-2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 40972699
1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 86941094

Frequently Asked Questions

What is the IUPAC name of (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (CID 95652926) is (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1NC(=O)[C@@H]2CCCCN21.
What is the InChIKey of (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is JTWHUIWPKYVNNU-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-17(18-20-19(24)16-10-6-7-11-22(16)18)14(2)23(21-13)12-15-8-4-3-5-9-15/h3-5,8-9,16,18H,6-7,10-12H2,1-2H3,(H,20,24)/t16-,18+/m0/s1.
What are the key properties of (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
(3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 324.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aS)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 95652926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).