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

C17H18N6O2 — CID 71700837

IUPAC1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C17H18N6O2/c1-23-13(10-12(22-23)11-6-3-2-4-7-11)16(24)19-17-18-15(20-21-17)14-8-5-9-25-14/h2-4,6-7,10,14H,5,8-9H2,1H3,(H2,18,19,20,21,24)
InChIKeyWOBURPOBICIPSQ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.31
Rot. Bonds4

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

1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide (PubChem CID 71700837) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
PubChem CID71700837
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C17H18N6O2/c1-23-13(10-12(22-23)11-6-3-2-4-7-11)16(24)19-17-18-15(20-21-17)14-8-5-9-25-14/h2-4,6-7,10,14H,5,8-9H2,1H3,(H2,18,19,20,21,24)
InChIKeyWOBURPOBICIPSQ-UHFFFAOYSA-N
XLogP2.31
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide 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-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide (CID 71700837) is 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1n[nH]c(C2CCCO2)n1.
What is the InChIKey of 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is WOBURPOBICIPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-23-13(10-12(22-23)11-6-3-2-4-7-11)16(24)19-17-18-15(20-21-17)14-8-5-9-25-14/h2-4,6-7,10,14H,5,8-9H2,1H3,(H2,18,19,20,21,24).
What are the key properties of 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide?
1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 71700837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).