[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

C18H19N5O2 — CID 95230843

IUPAC[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC[C@H](n4ccnc4)C3)[nH]n2)cc1
InChIInChI=1S/C18H19N5O2/c1-25-15-4-2-13(3-5-15)16-10-17(21-20-16)18(24)22-8-6-14(11-22)23-9-7-19-12-23/h2-5,7,9-10,12,14H,6,8,11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyAIQAKMUTLNYGGN-AWEZNQCLSA-N
MW337.38 g/mol
LogP2.37
Rot. Bonds4

About [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 95230843) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID95230843
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC[C@H](n4ccnc4)C3)[nH]n2)cc1
InChIInChI=1S/C18H19N5O2/c1-25-15-4-2-13(3-5-15)16-10-17(21-20-16)18(24)22-8-6-14(11-22)23-9-7-19-12-23/h2-5,7,9-10,12,14H,6,8,11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyAIQAKMUTLNYGGN-AWEZNQCLSA-N
XLogP2.37
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone with MolForge

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[4-(3-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288529
4-(azetidine-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288530
6-(4-phenoxyphenyl)-2-(1-prop-2-enoylpyrrolidin-3-yl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 117676992
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871923
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
N-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 4304417
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964069
7-[3-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrazol-4-yl]-2,5-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137641733
1-(1-ethyl-1H-imidazol-2-yl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 16191488
(4-methylpiperazin-1-yl)(5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-3-yl)methanone
CID 59252419
N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 16192467
N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 25223872

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 95230843) is [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CC[C@H](n4ccnc4)C3)[nH]n2)cc1.
What is the InChIKey of [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is AIQAKMUTLNYGGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-15-4-2-13(3-5-15)16-10-17(21-20-16)18(24)22-8-6-14(11-22)23-9-7-19-12-23/h2-5,7,9-10,12,14H,6,8,11H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 95230843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).