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

C23H32N4O — CID 44522215

IUPACN-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)c4ccn[nH]4)CC3)CCCCC2)cc1
InChIInChI=1S/C23H32N4O/c1-18-5-7-19(8-6-18)23(12-3-2-4-13-23)17-27-15-10-20(11-16-27)25-22(28)21-9-14-24-26-21/h5-9,14,20H,2-4,10-13,15-17H2,1H3,(H,24,26)(H,25,28)
InChIKeyDKVQESQSJIBMAU-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.81
Rot. Bonds5

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

N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 44522215) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID44522215
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)c4ccn[nH]4)CC3)CCCCC2)cc1
InChIInChI=1S/C23H32N4O/c1-18-5-7-19(8-6-18)23(12-3-2-4-13-23)17-27-15-10-20(11-16-27)25-22(28)21-9-14-24-26-21/h5-9,14,20H,2-4,10-13,15-17H2,1H3,(H,24,26)(H,25,28)
InChIKeyDKVQESQSJIBMAU-UHFFFAOYSA-N
XLogP3.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 44522215) is N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is Cc1ccc(C2(CN3CCC(NC(=O)c4ccn[nH]4)CC3)CCCCC2)cc1.
What is the InChIKey of N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is DKVQESQSJIBMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18-5-7-19(8-6-18)23(12-3-2-4-13-23)17-27-15-10-20(11-16-27)25-22(28)21-9-14-24-26-21/h5-9,14,20H,2-4,10-13,15-17H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.81, 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-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 44522215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).