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

C23H31ClN4O — CID 44522214

IUPAC4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)c4[nH]ncc4Cl)CC3)CCCCC2)cc1
InChIInChI=1S/C23H31ClN4O/c1-17-5-7-18(8-6-17)23(11-3-2-4-12-23)16-28-13-9-19(10-14-28)26-22(29)21-20(24)15-25-27-21/h5-8,15,19H,2-4,9-14,16H2,1H3,(H,25,27)(H,26,29)
InChIKeyZXWNTKIGXUIERP-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.47
Rot. Bonds5

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

4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 44522214) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID44522214
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC Name4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)c4[nH]ncc4Cl)CC3)CCCCC2)cc1
InChIInChI=1S/C23H31ClN4O/c1-17-5-7-18(8-6-17)23(11-3-2-4-12-23)16-28-13-9-19(10-14-28)26-22(29)21-20(24)15-25-27-21/h5-8,15,19H,2-4,9-14,16H2,1H3,(H,25,27)(H,26,29)
InChIKeyZXWNTKIGXUIERP-UHFFFAOYSA-N
XLogP4.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 44522214) is 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is Cc1ccc(C2(CN3CCC(NC(=O)c4[nH]ncc4Cl)CC3)CCCCC2)cc1.
What is the InChIKey of 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZXWNTKIGXUIERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O/c1-17-5-7-18(8-6-17)23(11-3-2-4-12-23)16-28-13-9-19(10-14-28)26-22(29)21-20(24)15-25-27-21/h5-8,15,19H,2-4,9-14,16H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 414.98 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 44522214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).