N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C22H30N4O — CID 20918586

IUPACN-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2C2CCNCC2)cc1
InChIInChI=1S/C22H30N4O/c1-16-7-9-19(10-8-16)26-21(17-11-13-23-14-12-17)20(15-24-26)22(27)25-18-5-3-2-4-6-18/h7-10,15,17-18,23H,2-6,11-14H2,1H3,(H,25,27)
InChIKeyVRVNBWHNHDHQQL-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.71
Rot. Bonds4

About N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20918586) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20918586
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2C2CCNCC2)cc1
InChIInChI=1S/C22H30N4O/c1-16-7-9-19(10-8-16)26-21(17-11-13-23-14-12-17)20(15-24-26)22(27)25-18-5-3-2-4-6-18/h7-10,15,17-18,23H,2-6,11-14H2,1H3,(H,25,27)
InChIKeyVRVNBWHNHDHQQL-UHFFFAOYSA-N
XLogP3.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 58433770
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923939
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051701
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
CID 53347568
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833
1-(4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918588
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
1-(4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053080

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20918586) is N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2C2CCNCC2)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is VRVNBWHNHDHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-7-9-19(10-8-16)26-21(17-11-13-23-14-12-17)20(15-24-26)22(27)25-18-5-3-2-4-6-18/h7-10,15,17-18,23H,2-6,11-14H2,1H3,(H,25,27).
What are the key properties of N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20918586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).