1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole

C7H7F2N5 — CID 175997022

IUPAC1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole
SMILESCn1cc(-n2ccnn2)c(C(F)F)n1
InChIInChI=1S/C7H7F2N5/c1-13-4-5(6(11-13)7(8)9)14-3-2-10-12-14/h2-4,7H,1H3
InChIKeyRVOZQLFVDKWTCQ-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.94
Rot. Bonds2

About 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole

1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole (PubChem CID 175997022) has the molecular formula C7H7F2N5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole
PubChem CID175997022
Molecular FormulaC7H7F2N5
Molecular Weight199.16 g/mol
Exact Mass199.07
IUPAC Name1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole
SMILESCn1cc(-n2ccnn2)c(C(F)F)n1
InChIInChI=1S/C7H7F2N5/c1-13-4-5(6(11-13)7(8)9)14-3-2-10-12-14/h2-4,7H,1H3
InChIKeyRVOZQLFVDKWTCQ-UHFFFAOYSA-N
XLogP0.94
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]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-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole?
The IUPAC name of 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole (CID 175997022) is 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole.
What is the SMILES notation for 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole?
The canonical SMILES for 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole is Cn1cc(-n2ccnn2)c(C(F)F)n1.
What is the InChIKey of 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole?
The InChIKey is RVOZQLFVDKWTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N5/c1-13-4-5(6(11-13)7(8)9)14-3-2-10-12-14/h2-4,7H,1H3.
What are the key properties of 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole?
1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole has a molecular weight of 199.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazole is sourced from PubChem (CID 175997022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).