N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C20H24N6O — CID 126773389

IUPACN-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)cc1NC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C20H24N6O/c1-16-19(15-26(23-16)18-6-3-2-4-7-18)22-20(27)24-12-8-17(9-13-24)14-25-11-5-10-21-25/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,22,27)
InChIKeyWRVUNAGWWRMJNU-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.32
Rot. Bonds4

About N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 126773389) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID126773389
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)cc1NC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C20H24N6O/c1-16-19(15-26(23-16)18-6-3-2-4-7-18)22-20(27)24-12-8-17(9-13-24)14-25-11-5-10-21-25/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,22,27)
InChIKeyWRVUNAGWWRMJNU-UHFFFAOYSA-N
XLogP3.32
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 72868956
4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 56782671
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 155947673
4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90495359
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
(3aS,6aR)-2-[(3-methyl-1-phenylpyrazol-4-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122089226

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 126773389) is N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is WRVUNAGWWRMJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16-19(15-26(23-16)18-6-3-2-4-7-18)22-20(27)24-12-8-17(9-13-24)14-25-11-5-10-21-25/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,22,27).
What are the key properties of N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126773389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).