1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole

C19H17N5 — CID 10615256

IUPAC1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole
SMILESCn1ncc(C(c2ccccc2)n2cncn2)c1-c1ccccc1
InChIInChI=1S/C19H17N5/c1-23-18(15-8-4-2-5-9-15)17(12-21-23)19(24-14-20-13-22-24)16-10-6-3-7-11-16/h2-14,19H,1H3
InChIKeyQUAYKQXZVSMWGO-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.32
Rot. Bonds4

About 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole

1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole (PubChem CID 10615256) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole
PubChem CID10615256
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole
SMILESCn1ncc(C(c2ccccc2)n2cncn2)c1-c1ccccc1
InChIInChI=1S/C19H17N5/c1-23-18(15-8-4-2-5-9-15)17(12-21-23)19(24-14-20-13-22-24)16-10-6-3-7-11-16/h2-14,19H,1H3
InChIKeyQUAYKQXZVSMWGO-UHFFFAOYSA-N
XLogP3.32
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole?
The IUPAC name of 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole (CID 10615256) is 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole?
The canonical SMILES for 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole is Cn1ncc(C(c2ccccc2)n2cncn2)c1-c1ccccc1.
What is the InChIKey of 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole?
The InChIKey is QUAYKQXZVSMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-23-18(15-8-4-2-5-9-15)17(12-21-23)19(24-14-20-13-22-24)16-10-6-3-7-11-16/h2-14,19H,1H3.
What are the key properties of 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole?
1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole has a molecular weight of 315.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-5-phenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole is sourced from PubChem (CID 10615256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).