1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine

C17H16FN3 — CID 83203131

IUPAC1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3ccccc3F)n2)c(C)c1
InChIInChI=1S/C17H16FN3/c1-11-7-8-16(12(2)9-11)21-10-15(19)17(20-21)13-5-3-4-6-14(13)18/h3-10H,19H2,1-2H3
InChIKeySSLRUHPVKRONCS-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.88
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine

1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine (PubChem CID 83203131) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine
PubChem CID83203131
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3ccccc3F)n2)c(C)c1
InChIInChI=1S/C17H16FN3/c1-11-7-8-16(12(2)9-11)21-10-15(19)17(20-21)13-5-3-4-6-14(13)18/h3-10H,19H2,1-2H3
InChIKeySSLRUHPVKRONCS-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine (CID 83203131) is 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine is Cc1ccc(-n2cc(N)c(-c3ccccc3F)n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine?
The InChIKey is SSLRUHPVKRONCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11-7-8-16(12(2)9-11)21-10-15(19)17(20-21)13-5-3-4-6-14(13)18/h3-10H,19H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine?
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine has a molecular weight of 281.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83203131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).