5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide

C19H16N6O — CID 136525797

IUPAC5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cnn1-c1ccccc1
InChIInChI=1S/C19H16N6O/c1-13-17(11-22-25(13)16-8-3-2-4-9-16)19(26)23-15-7-5-6-14(10-15)18-20-12-21-24-18/h2-12H,1H3,(H,23,26)(H,20,21,24)
InChIKeyJIXYRSUFTDKIOE-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.22
Rot. Bonds4

About 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide

5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 136525797) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
PubChem CID136525797
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cnn1-c1ccccc1
InChIInChI=1S/C19H16N6O/c1-13-17(11-22-25(13)16-8-3-2-4-9-16)19(26)23-15-7-5-6-14(10-15)18-20-12-21-24-18/h2-12H,1H3,(H,23,26)(H,20,21,24)
InChIKeyJIXYRSUFTDKIOE-UHFFFAOYSA-N
XLogP3.22
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 41360742
5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 34406836
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525651
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
5-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 122284883
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34441538
N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60614952
2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136512861
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide (CID 136525797) is 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(-c3ncn[nH]3)c2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is JIXYRSUFTDKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-13-17(11-22-25(13)16-8-3-2-4-9-16)19(26)23-15-7-5-6-14(10-15)18-20-12-21-24-18/h2-12H,1H3,(H,23,26)(H,20,21,24).
What are the key properties of 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide?
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136525797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).