3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide

C12H17N5O — CID 125439014

IUPAC3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2cncn2C)c1
InChIInChI=1S/C12H17N5O/c1-9-4-15-17(7-9)10(2)5-14-12(18)11-6-13-8-16(11)3/h4,6-8,10H,5H2,1-3H3,(H,14,18)/t10-/m0/s1
InChIKeyVEZDMXUSESUQRE-JTQLQIEISA-N
MW247.30 g/mol
LogP0.92
Rot. Bonds4

About 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide

3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide (PubChem CID 125439014) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide
PubChem CID125439014
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide
SMILESCc1cnn([C@@H](C)CNC(=O)c2cncn2C)c1
InChIInChI=1S/C12H17N5O/c1-9-4-15-17(7-9)10(2)5-14-12(18)11-6-13-8-16(11)3/h4,6-8,10H,5H2,1-3H3,(H,14,18)/t10-/m0/s1
InChIKeyVEZDMXUSESUQRE-JTQLQIEISA-N
XLogP0.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 45153800
2-Imidazol-1-yl-1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53587938
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53602016
(1-Methylpyrazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53614117
(3-Aminopyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780197
2-Imidazol-1-yl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 72044309
3-(4-methylpyrazol-1-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72149681
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-methyl-1H-imidazole-4-carboxamide
CID 91923835
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97390342
N-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 97467591
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 91923147
1-cyclopropyl-N-{1-[1-(pyrimidin-5-yl)ethyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide
CID 132219963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide (CID 125439014) is 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide is Cc1cnn([C@@H](C)CNC(=O)c2cncn2C)c1.
What is the InChIKey of 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide?
The InChIKey is VEZDMXUSESUQRE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-4-15-17(7-9)10(2)5-14-12(18)11-6-13-8-16(11)3/h4,6-8,10H,5H2,1-3H3,(H,14,18)/t10-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide?
3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide is sourced from PubChem (CID 125439014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).