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

C17H13ClF3N3 — CID 2766605

IUPAC1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCc1nn(-c2cccc(Cl)c2)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3N3/c1-10-15(11-4-2-5-12(8-11)17(19,20)21)16(22)24(23-10)14-7-3-6-13(18)9-14/h2-9H,22H2,1H3
InChIKeyXLNMLURMBNWWLN-UHFFFAOYSA-N
MW351.76 g/mol
LogP5.10
Rot. Bonds2

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

1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 2766605) has the molecular formula C17H13ClF3N3 and a molecular weight of 351.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID2766605
Molecular FormulaC17H13ClF3N3
Molecular Weight351.76 g/mol
Exact Mass351.08
IUPAC Name1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCc1nn(-c2cccc(Cl)c2)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3N3/c1-10-15(11-4-2-5-12(8-11)17(19,20)21)16(22)24(23-10)14-7-3-6-13(18)9-14/h2-9H,22H2,1H3
InChIKeyXLNMLURMBNWWLN-UHFFFAOYSA-N
XLogP5.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.76
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 2766605) is 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is Cc1nn(-c2cccc(Cl)c2)c(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is XLNMLURMBNWWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3/c1-10-15(11-4-2-5-12(8-11)17(19,20)21)16(22)24(23-10)14-7-3-6-13(18)9-14/h2-9H,22H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 351.76 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 2766605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).