1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine

C11H9ClF3N3 — CID 102942299

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H9ClF3N3/c1-6-4-10(16)17-18(6)9-3-2-7(12)5-8(9)11(13,14)15/h2-5H,1H3,(H2,16,17)
InChIKeyWOLLOGZPJADVNY-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.44
Rot. Bonds1

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine

1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine (PubChem CID 102942299) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine
PubChem CID102942299
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H9ClF3N3/c1-6-4-10(16)17-18(6)9-3-2-7(12)5-8(9)11(13,14)15/h2-5H,1H3,(H2,16,17)
InChIKeyWOLLOGZPJADVNY-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421473
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole
CID 55184758
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
2-[1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]acetic acid
CID 43671455
1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942628
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
1-(2-bromo-5-chloro-4-methylphenyl)-5-methylpyrazol-3-amine
CID 102943093
1-[4-bromo-2-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-amine
CID 65484801
2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide
CID 114253378
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3253444
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine (CID 102942299) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1-c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine?
The InChIKey is WOLLOGZPJADVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-6-4-10(16)17-18(6)9-3-2-7(12)5-8(9)11(13,14)15/h2-5H,1H3,(H2,16,17).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine?
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine has a molecular weight of 275.66 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 102942299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).