N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide

C16H19N3O — CID 110466735

IUPACN-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1cn[nH]c1
InChIInChI=1S/C16H19N3O/c20-16(14-10-17-18-11-14)19-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,17,18)(H,19,20)
InChIKeyABYCARKCEKUPKM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.71
Rot. Bonds3

About N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide

N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 110466735) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID110466735
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1cn[nH]c1
InChIInChI=1S/C16H19N3O/c20-16(14-10-17-18-11-14)19-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,17,18)(H,19,20)
InChIKeyABYCARKCEKUPKM-UHFFFAOYSA-N
XLogP3.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 60786492
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
CID 22501855
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid
CID 90214357
4-cyclohexyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532736
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
(4-cyclopentylphenyl)urea
CID 130193151
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide (CID 110466735) is N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)c1cn[nH]c1.
What is the InChIKey of N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ABYCARKCEKUPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(14-10-17-18-11-14)19-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,17,18)(H,19,20).
What are the key properties of N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide?
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110466735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).