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

C11H9ClF3N3 — CID 117441268

IUPAC4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(C(F)(F)F)cc2Cl)c1N
InChIInChI=1S/C11H9ClF3N3/c1-18-10(16)8(5-17-18)7-3-2-6(4-9(7)12)11(13,14)15/h2-5H,16H2,1H3
InChIKeyPWPGZLDZRJBEHF-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.34
Rot. Bonds1

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

4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117441268) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117441268
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(C(F)(F)F)cc2Cl)c1N
InChIInChI=1S/C11H9ClF3N3/c1-18-10(16)8(5-17-18)7-3-2-6(4-9(7)12)11(13,14)15/h2-5H,16H2,1H3
InChIKeyPWPGZLDZRJBEHF-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 115112521
2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol
CID 117471111
4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117380822
4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117421303
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole
CID 70791395
4-(6-chloro-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117382481
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117401092
4-[3-chloro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117351866
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (CID 117441268) is 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(C(F)(F)F)cc2Cl)c1N.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is PWPGZLDZRJBEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-18-10(16)8(5-17-18)7-3-2-6(4-9(7)12)11(13,14)15/h2-5H,16H2,1H3.
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 275.66 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117441268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).