4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole

C10H12ClF2N5 — CID 166559980

IUPAC4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole
SMILESCc1nn(C)nc1Cc1cn(CC(F)F)nc1Cl
InChIInChI=1S/C10H12ClF2N5/c1-6-8(15-17(2)14-6)3-7-4-18(5-9(12)13)16-10(7)11/h4,9H,3,5H2,1-2H3
InChIKeyPGCVCJOXOGRMPT-UHFFFAOYSA-N
MW275.69 g/mol
LogP1.83
Rot. Bonds4

About 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole

4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole (PubChem CID 166559980) has the molecular formula C10H12ClF2N5 and a molecular weight of 275.69 g/mol. Its IUPAC name is 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole.

Molecular Properties

Compound Name4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole
PubChem CID166559980
Molecular FormulaC10H12ClF2N5
Molecular Weight275.69 g/mol
Exact Mass275.07
IUPAC Name4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole
SMILESCc1nn(C)nc1Cc1cn(CC(F)F)nc1Cl
InChIInChI=1S/C10H12ClF2N5/c1-6-8(15-17(2)14-6)3-7-4-18(5-9(12)13)16-10(7)11/h4,9H,3,5H2,1-2H3
InChIKeyPGCVCJOXOGRMPT-UHFFFAOYSA-N
XLogP1.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole 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

N-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 46993229
4-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]methyl]-5-iodo-2-methyltriazole
CID 166559886
4-[[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-iodo-2-methyltriazole
CID 166559904
4-[[3-Chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-5-iodo-2-methyltriazole
CID 166560102
[3-Chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
CID 166560187
4-[[3-Chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-2-(difluoromethyl)-5-iodotriazole
CID 166560252
4-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole
CID 167278856
1,3-Dimethyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazole
CID 167387769
4-Tert-butyl-3-[3-(3-chloro-1-propan-2-ylpyrazol-4-yl)-3-methylbutyl]-1-(difluoromethyl)pyrazole
CID 169625625
1-(2,2-Difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole
CID 175719020
3-Chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole
CID 175719099
4-[[3-Chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2-methyltriazole
CID 175844918

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole?
The IUPAC name of 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole (CID 166559980) is 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole.
What is the SMILES notation for 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole?
The canonical SMILES for 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole is Cc1nn(C)nc1Cc1cn(CC(F)F)nc1Cl.
What is the InChIKey of 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole?
The InChIKey is PGCVCJOXOGRMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N5/c1-6-8(15-17(2)14-6)3-7-4-18(5-9(12)13)16-10(7)11/h4,9H,3,5H2,1-2H3.
What are the key properties of 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole?
4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole has a molecular weight of 275.69 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-2,5-dimethyltriazole is sourced from PubChem (CID 166559980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).