N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

C13H12N6O — CID 22434324

IUPACN-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
SMILESCc1[nH]nc(-n2cnnc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C13H12N6O/c1-9-11(12(18-17-9)19-7-14-15-8-19)16-13(20)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,20)(H,17,18)
InChIKeySJCYZQRGHKSPII-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.55
Rot. Bonds3

About N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide (PubChem CID 22434324) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
PubChem CID22434324
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
SMILESCc1[nH]nc(-n2cnnc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C13H12N6O/c1-9-11(12(18-17-9)19-7-14-15-8-19)16-13(20)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,20)(H,17,18)
InChIKeySJCYZQRGHKSPII-UHFFFAOYSA-N
XLogP1.55
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide 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

3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
CID 22434337
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
N-(5-benzamido-3-methyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzamide
CID 91869386
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-4-methylbenzamide
CID 22434280
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
CID 50880804
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 134817567
1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 90937167

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide (CID 22434324) is N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide is Cc1[nH]nc(-n2cnnc2)c1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is SJCYZQRGHKSPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-9-11(12(18-17-9)19-7-14-15-8-19)16-13(20)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide?
N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 268.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 22434324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).