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

C25H26N6O — CID 45195369

IUPACN-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(Cc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C25H26N6O/c32-25(28-22-9-7-20(8-10-22)24-11-13-26-29-24)21-5-2-14-30(18-21)17-19-4-1-6-23(16-19)31-15-3-12-27-31/h1,3-4,6-13,15-16,21H,2,5,14,17-18H2,(H,26,29)(H,28,32)
InChIKeyGJDIHJPVGCGJCD-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.11
Rot. Bonds6

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

N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 45195369) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID45195369
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(Cc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C25H26N6O/c32-25(28-22-9-7-20(8-10-22)24-11-13-26-29-24)21-5-2-14-30(18-21)17-19-4-1-6-23(16-19)31-15-3-12-27-31/h1,3-4,6-13,15-16,21H,2,5,14,17-18H2,(H,26,29)(H,28,32)
InChIKeyGJDIHJPVGCGJCD-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

(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 42519609
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
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24819389
1-[(1-ethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45197200
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45226311
1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 70769405
N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 121354922
1-(1,2-oxazol-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45193960
1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 45229387
1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 47804635
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24817625

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 45195369) is N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(Cc2cccc(-n3cccn3)c2)C1.
What is the InChIKey of N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GJDIHJPVGCGJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c32-25(28-22-9-7-20(8-10-22)24-11-13-26-29-24)21-5-2-14-30(18-21)17-19-4-1-6-23(16-19)31-15-3-12-27-31/h1,3-4,6-13,15-16,21H,2,5,14,17-18H2,(H,26,29)(H,28,32).
What are the key properties of N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]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 N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45195369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).