3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide

C32H31N3O — CID 19473680

IUPAC3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C32H31N3O/c36-31(33-27-13-11-26(12-14-27)25-7-3-1-4-8-25)29-21-35(28-9-5-2-6-10-28)34-30(29)32-18-22-15-23(19-32)17-24(16-22)20-32/h1-14,21-24H,15-20H2,(H,33,36)
InChIKeyIVMMIBKTQZGRKX-UHFFFAOYSA-N
MW473.62 g/mol
LogP7.26
Rot. Bonds5

About 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide

3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide (PubChem CID 19473680) has the molecular formula C32H31N3O and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide
PubChem CID19473680
Molecular FormulaC32H31N3O
Molecular Weight473.62 g/mol
Exact Mass473.25
IUPAC Name3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C32H31N3O/c36-31(33-27-13-11-26(12-14-27)25-7-3-1-4-8-25)29-21-35(28-9-5-2-6-10-28)34-30(29)32-18-22-15-23(19-32)17-24(16-22)20-32/h1-14,21-24H,15-20H2,(H,33,36)
InChIKeyIVMMIBKTQZGRKX-UHFFFAOYSA-N
XLogP7.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantyl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
CID 19473825
3-(1-adamantyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 5241852
3-(1-adamantyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylpyrazole-4-carboxamide
CID 19473874
3-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 19473794
3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 19473841
3-(1-adamantyl)-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide
CID 19473857
ethyl (2R)-2-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-3-sulfanylpropanoate
CID 19473673
3-(1-adamantyl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylpyrazole-4-carboxamide
CID 19473788
3-(1-adamantyl)-N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 19473709
3-(1-adamantyl)-N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide
CID 19287426
3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
CID 19396150
3-(1-adamantyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 19473710

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide (CID 19473680) is 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide?
The InChIKey is IVMMIBKTQZGRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O/c36-31(33-27-13-11-26(12-14-27)25-7-3-1-4-8-25)29-21-35(28-9-5-2-6-10-28)34-30(29)32-18-22-15-23(19-32)17-24(16-22)20-32/h1-14,21-24H,15-20H2,(H,33,36).
What are the key properties of 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide?
3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 7.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19473680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).