1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C20H24N6O — CID 25477192

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1
InChIInChI=1S/C20H24N6O/c1-24-14-16(13-22-24)15-25-11-7-17(8-12-25)20(27)23-18-3-5-19(6-4-18)26-10-2-9-21-26/h2-6,9-10,13-14,17H,7-8,11-12,15H2,1H3,(H,23,27)
InChIKeyHQHZDFLRXMDRDA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.46
Rot. Bonds5

About 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 25477192) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID25477192
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1
InChIInChI=1S/C20H24N6O/c1-24-14-16(13-22-24)15-25-11-7-17(8-12-25)20(27)23-18-3-5-19(6-4-18)26-10-2-9-21-26/h2-6,9-10,13-14,17H,7-8,11-12,15H2,1H3,(H,23,27)
InChIKeyHQHZDFLRXMDRDA-UHFFFAOYSA-N
XLogP2.46
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 72932505
N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 56525515
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 97275069
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
1-[(1-ethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45197200
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 25378951
1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45198770
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62716607

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 25477192) is 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is Cn1cc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is HQHZDFLRXMDRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-24-14-16(13-22-24)15-25-11-7-17(8-12-25)20(27)23-18-3-5-19(6-4-18)26-10-2-9-21-26/h2-6,9-10,13-14,17H,7-8,11-12,15H2,1H3,(H,23,27).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 25477192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).