N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride

C22H30Cl2N4O — CID 44522203

IUPACN-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCCCC2)CC1)c1ccn[nH]1
InChIInChI=1S/C22H29ClN4O.ClH/c23-18-6-4-17(5-7-18)22(11-2-1-3-12-22)16-27-14-9-19(10-15-27)25-21(28)20-8-13-24-26-20;/h4-8,13,19H,1-3,9-12,14-16H2,(H,24,26)(H,25,28);1H
InChIKeyYEWHVXYLCGSODB-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.58
Rot. Bonds5

About N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride

N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 44522203) has the molecular formula C22H30Cl2N4O and a molecular weight of 437.42 g/mol. Its IUPAC name is N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID44522203
Molecular FormulaC22H30Cl2N4O
Molecular Weight437.42 g/mol
Exact Mass436.18
IUPAC NameN-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCCCC2)CC1)c1ccn[nH]1
InChIInChI=1S/C22H29ClN4O.ClH/c23-18-6-4-17(5-7-18)22(11-2-1-3-12-22)16-27-14-9-19(10-15-27)25-21(28)20-8-13-24-26-20;/h4-8,13,19H,1-3,9-12,14-16H2,(H,24,26)(H,25,28);1H
InChIKeyYEWHVXYLCGSODB-UHFFFAOYSA-N
XLogP4.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-1,2-dihydro-3-pyridinyl]-4-chlorobenzenecarboxamide
CID 1475595
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-chloro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995078
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 3221280
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-methylpiperazin-1-yl)methanone
CID 24178134
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-ethylpiperazin-1-yl)methanone
CID 24178135
N-(1-{[1-(4-Chlorophenyl)cyclobutyl]methyl}piperidin-4-YL)-1H-pyrazole-3-carboxamide
CID 44522206
N-(1-{[1-(2-Fluorophenyl)cyclopentyl]methyl}piperidin-4-YL)-1H-pyrazole-3-carboxamide
CID 44522213
4-chloro-N-(1-{[1-(4-methylphenyl)cyclohexyl]methyl}piperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 44522214
N-(1-{[1-(4-Methylphenyl)cyclohexyl]methyl}piperidin-4-YL)-1H-pyrazole-3-carboxamide
CID 44522215
N-benzyl-3-(5-chloro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49795659

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride (CID 44522203) is N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride is Cl.O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCCCC2)CC1)c1ccn[nH]1.
What is the InChIKey of N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is YEWHVXYLCGSODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O.ClH/c23-18-6-4-17(5-7-18)22(11-2-1-3-12-22)16-27-14-9-19(10-15-27)25-21(28)20-8-13-24-26-20;/h4-8,13,19H,1-3,9-12,14-16H2,(H,24,26)(H,25,28);1H.
What are the key properties of N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride?
N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 437.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(4-chlorophenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 44522203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).