1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide

C16H22N4O — CID 132968634

IUPAC1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cn[nH]c2)c(C)n1C1CCCCC1
InChIInChI=1S/C16H22N4O/c1-11-8-15(16(21)19-13-9-17-18-10-13)12(2)20(11)14-6-4-3-5-7-14/h8-10,14H,3-7H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyFAXAUDPDWNITTQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.59
Rot. Bonds3

About 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide

1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide (PubChem CID 132968634) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
PubChem CID132968634
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cn[nH]c2)c(C)n1C1CCCCC1
InChIInChI=1S/C16H22N4O/c1-11-8-15(16(21)19-13-9-17-18-10-13)12(2)20(11)14-6-4-3-5-7-14/h8-10,14H,3-7H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyFAXAUDPDWNITTQ-UHFFFAOYSA-N
XLogP3.59
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696368
methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
CID 55962259
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide
CID 24559929
N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 75417454
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119456498
1-cyclohexyl-2,5-dimethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 55970820
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120566438
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119425757
N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119420979
diethyl 5-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 39964628

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide (CID 132968634) is 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cn[nH]c2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide?
The InChIKey is FAXAUDPDWNITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-8-15(16(21)19-13-9-17-18-10-13)12(2)20(11)14-6-4-3-5-7-14/h8-10,14H,3-7H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide?
1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 132968634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).