5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine

C12H13F2N3 — CID 66441226

IUPAC5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1ccc(C)c(-n2ncc(N)c2C(F)F)c1
InChIInChI=1S/C12H13F2N3/c1-7-3-4-8(2)10(5-7)17-11(12(13)14)9(15)6-16-17/h3-6,12H,15H2,1-2H3
InChIKeyATMRYZXBSXNMRG-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.01
Rot. Bonds2

About 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine

5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine (PubChem CID 66441226) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
PubChem CID66441226
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
SMILESCc1ccc(C)c(-n2ncc(N)c2C(F)F)c1
InChIInChI=1S/C12H13F2N3/c1-7-3-4-8(2)10(5-7)17-11(12(13)14)9(15)6-16-17/h3-6,12H,15H2,1-2H3
InChIKeyATMRYZXBSXNMRG-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine 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

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline
CID 7064033
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
(3-(1H-Pyrazol-1-yl)phenyl)methanamine
CID 730097
N-methyl-2-(3-phenyl-1H-pyrazol-1-yl)aniline
CID 869424
(1R)-1-phenyl-N-((1R)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)ethanamine
CID 44543086
1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(3-(trifluoromethyl)phenyl)piperazine
CID 49862196

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine?
The IUPAC name of 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine (CID 66441226) is 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine?
The canonical SMILES for 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine is Cc1ccc(C)c(-n2ncc(N)c2C(F)F)c1.
What is the InChIKey of 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine?
The InChIKey is ATMRYZXBSXNMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7-3-4-8(2)10(5-7)17-11(12(13)14)9(15)6-16-17/h3-6,12H,15H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine?
5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine has a molecular weight of 237.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine is sourced from PubChem (CID 66441226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).