4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

C11H9ClF3N3 — CID 28812042

IUPAC4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C11H9ClF3N3/c1-18-10(16)8(9(17-18)11(13,14)15)6-2-4-7(12)5-3-6/h2-5H,16H2,1H3
InChIKeyVQCZHBCAFWLDKX-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.34
Rot. Bonds1

About 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 28812042) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID28812042
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C11H9ClF3N3/c1-18-10(16)8(9(17-18)11(13,14)15)6-2-4-7(12)5-3-6/h2-5H,16H2,1H3
InChIKeyVQCZHBCAFWLDKX-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 28812042) is 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is VQCZHBCAFWLDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-18-10(16)8(9(17-18)11(13,14)15)6-2-4-7(12)5-3-6/h2-5H,16H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-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-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 28812042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).