5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

C22H30N4O2 — CID 70716700

IUPAC5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(O)c2)CC1)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C22H30N4O2/c27-19-8-4-5-16(13-19)15-26-11-9-18(10-12-26)24-22(28)20-14-23-25-21(20)17-6-2-1-3-7-17/h4-5,8,13-14,17-18,27H,1-3,6-7,9-12,15H2,(H,23,25)(H,24,28)
InChIKeyBXFNEAVMILHAER-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.56
Rot. Bonds5

About 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 70716700) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID70716700
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(O)c2)CC1)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C22H30N4O2/c27-19-8-4-5-16(13-19)15-26-11-9-18(10-12-26)24-22(28)20-14-23-25-21(20)17-6-2-1-3-7-17/h4-5,8,13-14,17-18,27H,1-3,6-7,9-12,15H2,(H,23,25)(H,24,28)
InChIKeyBXFNEAVMILHAER-UHFFFAOYSA-N
XLogP3.56
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide
CID 72845146
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
azepan-1-yl-[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110082926
N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 118772051
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 60602821
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
(1S,3R,4R)-3-amino-4-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 155502884
4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753452
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide
CID 146042653
3-(3-hydroxy-3-methylbut-1-ynyl)-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]benzamide
CID 131915003

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 70716700) is 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is O=C(NC1CCN(Cc2cccc(O)c2)CC1)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is BXFNEAVMILHAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-19-8-4-5-16(13-19)15-26-11-9-18(10-12-26)24-22(28)20-14-23-25-21(20)17-6-2-1-3-7-17/h4-5,8,13-14,17-18,27H,1-3,6-7,9-12,15H2,(H,23,25)(H,24,28).
What are the key properties of 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70716700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).