[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone

C21H25N5O — CID 97141939

IUPAC[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone
SMILESCCn1ccnc1[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cccc(C)c2)C1
InChIInChI=1S/C21H25N5O/c1-3-25-11-9-22-20(25)17-8-5-10-26(14-17)21(27)18-13-23-24-19(18)16-7-4-6-15(2)12-16/h4,6-7,9,11-13,17H,3,5,8,10,14H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyFQDMFHZIHIIUQQ-QGZVFWFLSA-N
MW363.47 g/mol
LogP3.62
Rot. Bonds4

About [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone

[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 97141939) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone
PubChem CID97141939
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone
SMILESCCn1ccnc1[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cccc(C)c2)C1
InChIInChI=1S/C21H25N5O/c1-3-25-11-9-22-20(25)17-8-5-10-26(14-17)21(27)18-13-23-24-19(18)16-7-4-6-15(2)12-16/h4,6-7,9,11-13,17H,3,5,8,10,14H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyFQDMFHZIHIIUQQ-QGZVFWFLSA-N
XLogP3.62
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone with MolForge

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Related Compounds

2-[2-[(3S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282137
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97271958
(3,4-dimethoxyphenyl)-[1-[5-(3-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methanone
CID 56852640
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
2-[2-[(3S)-1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270117
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70782941
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 96571760
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-morpholin-4-ylphenyl)methanone
CID 70773218

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone (CID 97141939) is [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone is CCn1ccnc1[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cccc(C)c2)C1.
What is the InChIKey of [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is FQDMFHZIHIIUQQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-25-11-9-22-20(25)17-8-5-10-26(14-17)21(27)18-13-23-24-19(18)16-7-4-6-15(2)12-16/h4,6-7,9,11-13,17H,3,5,8,10,14H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone?
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 97141939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).