1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C25H26N6O — CID 45226311

IUPAC1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C25H26N6O/c32-25(28-22-10-4-11-23(15-22)31-14-6-12-27-31)20-9-5-13-30(17-20)18-21-16-26-29-24(21)19-7-2-1-3-8-19/h1-4,6-8,10-12,14-16,20H,5,9,13,17-18H2,(H,26,29)(H,28,32)
InChIKeyDPPZDVFXVREOHP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.11
Rot. Bonds6

About 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 45226311) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID45226311
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C25H26N6O/c32-25(28-22-10-4-11-23(15-22)31-14-6-12-27-31)20-9-5-13-30(17-20)18-21-16-26-29-24(21)19-7-2-1-3-8-19/h1-4,6-8,10-12,14-16,20H,5,9,13,17-18H2,(H,26,29)(H,28,32)
InChIKeyDPPZDVFXVREOHP-UHFFFAOYSA-N
XLogP4.11
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24817625
1-[(1-ethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45197200
1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45229650
1-(1,2-oxazol-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45193960
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24819389
1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24793047
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45216567
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 77091978
1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 47804635
1-benzyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 47069261
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 45226311) is 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)C1CCCN(Cc2cn[nH]c2-c2ccccc2)C1.
What is the InChIKey of 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is DPPZDVFXVREOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c32-25(28-22-10-4-11-23(15-22)31-14-6-12-27-31)20-9-5-13-30(17-20)18-21-16-26-29-24(21)19-7-2-1-3-8-19/h1-4,6-8,10-12,14-16,20H,5,9,13,17-18H2,(H,26,29)(H,28,32).
What are the key properties of 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 45226311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).