4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide

C17H19N7O — CID 120941273

IUPAC4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccn(-c2ccncc2)n1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19N7O/c25-16(17(5-10-19-11-6-17)24-12-1-7-20-24)21-15-4-13-23(22-15)14-2-8-18-9-3-14/h1-4,7-9,12-13,19H,5-6,10-11H2,(H,21,22,25)
InChIKeyVYKKKJPRIZMXQO-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.18
Rot. Bonds4

About 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide

4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 120941273) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID120941273
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccn(-c2ccncc2)n1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19N7O/c25-16(17(5-10-19-11-6-17)24-12-1-7-20-24)21-15-4-13-23(22-15)14-2-8-18-9-3-14/h1-4,7-9,12-13,19H,5-6,10-11H2,(H,21,22,25)
InChIKeyVYKKKJPRIZMXQO-UHFFFAOYSA-N
XLogP1.18
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120943007
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 119702679
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 120938669
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide (CID 120941273) is 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide is O=C(Nc1ccn(-c2ccncc2)n1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is VYKKKJPRIZMXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c25-16(17(5-10-19-11-6-17)24-12-1-7-20-24)21-15-4-13-23(22-15)14-2-8-18-9-3-14/h1-4,7-9,12-13,19H,5-6,10-11H2,(H,21,22,25).
What are the key properties of 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide?
4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 120941273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).