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

C11H9ClF3N3 — CID 174721890

IUPAC1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF3N3/c1-16-10-6-9(11(13,14)15)17-18(10)8-4-2-7(12)3-5-8/h2-6,16H,1H3
InChIKeyKDRBVDJCEIRHKH-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.59
Rot. Bonds2

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

1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 174721890) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID174721890
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF3N3/c1-16-10-6-9(11(13,14)15)17-18(10)8-4-2-7(12)3-5-8/h2-6,16H,1H3
InChIKeyKDRBVDJCEIRHKH-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 174721890) is 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine is CNc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is KDRBVDJCEIRHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-16-10-6-9(11(13,14)15)17-18(10)8-4-2-7(12)3-5-8/h2-6,16H,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine?
1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 275.66 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 174721890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).