N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

C19H21N5O2 — CID 97146603

IUPACN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N[C@H](c2nccn2C)C2CC2)c1
InChIInChI=1S/C19H21N5O2/c1-24-9-8-20-18(24)17(12-6-7-12)22-19(25)15-11-21-23-16(15)13-4-3-5-14(10-13)26-2/h3-5,8-12,17H,6-7H2,1-2H3,(H,21,23)(H,22,25)/t17-/m0/s1
InChIKeyWKWVELHMQUFBNI-KRWDZBQOSA-N
MW351.41 g/mol
LogP2.70
Rot. Bonds6

About N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 97146603) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID97146603
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N[C@H](c2nccn2C)C2CC2)c1
InChIInChI=1S/C19H21N5O2/c1-24-9-8-20-18(24)17(12-6-7-12)22-19(25)15-11-21-23-16(15)13-4-3-5-14(10-13)26-2/h3-5,8-12,17H,6-7H2,1-2H3,(H,21,23)(H,22,25)/t17-/m0/s1
InChIKeyWKWVELHMQUFBNI-KRWDZBQOSA-N
XLogP2.70
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
CID 129351793
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 97150973
5-(3-methoxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-4-carboxamide
CID 97117950
N-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 156585178
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 70780400
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 97146603) is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cccc(-c2[nH]ncc2C(=O)N[C@H](c2nccn2C)C2CC2)c1.
What is the InChIKey of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WKWVELHMQUFBNI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-9-8-20-18(24)17(12-6-7-12)22-19(25)15-11-21-23-16(15)13-4-3-5-14(10-13)26-2/h3-5,8-12,17H,6-7H2,1-2H3,(H,21,23)(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97146603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).