3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide

C25H23N3O2 — CID 9162880

IUPAC3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(CO)c2)cc1C
InChIInChI=1S/C25H23N3O2/c1-17-11-12-20(13-18(17)2)24-23(15-28(27-24)22-9-4-3-5-10-22)25(30)26-21-8-6-7-19(14-21)16-29/h3-15,29H,16H2,1-2H3,(H,26,30)
InChIKeyPAQBNVUZIPTBFL-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.90
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 9162880) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID9162880
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(CO)c2)cc1C
InChIInChI=1S/C25H23N3O2/c1-17-11-12-20(13-18(17)2)24-23(15-28(27-24)22-9-4-3-5-10-22)25(30)26-21-8-6-7-19(14-21)16-29/h3-15,29H,16H2,1-2H3,(H,26,30)
InChIKeyPAQBNVUZIPTBFL-UHFFFAOYSA-N
XLogP4.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 9224757
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 99636108
3-(3,4-dimethylphenyl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 55869482
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 9162963
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 38396952
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
3-(3,4-dimethylphenyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 9227765
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55806762
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide (CID 9162880) is 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(CO)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is PAQBNVUZIPTBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-11-12-20(13-18(17)2)24-23(15-28(27-24)22-9-4-3-5-10-22)25(30)26-21-8-6-7-19(14-21)16-29/h3-15,29H,16H2,1-2H3,(H,26,30).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9162880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).