(4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine

C17H16FN3O2S — CID 19886181

IUPAC(4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(N)c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-24(22,23)14-8-4-11(5-9-14)15-10-16(21-20-15)17(19)12-2-6-13(18)7-3-12/h2-10,17H,19H2,1H3,(H,20,21)
InChIKeyQHMVXNHKGYZHCR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.67
Rot. Bonds4

About (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine

(4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 19886181) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID19886181
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name(4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(N)c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-24(22,23)14-8-4-11(5-9-14)15-10-16(21-20-15)17(19)12-2-6-13(18)7-3-12/h2-10,17H,19H2,1H3,(H,20,21)
InChIKeyQHMVXNHKGYZHCR-UHFFFAOYSA-N
XLogP2.67
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11294571
CID 11294571
CID 25070947
CID 25070947
CID 56659731
CID 56659731
CID 56680214
CID 56680214
CID 164614787
CID 164614787
CID 164620343
CID 164620343
CID 2808054
CID 2808054
CID 70753911
CID 70753911
CID 2806203
CID 2806203
CID 15380222
CID 15380222
CID 15380227
CID 15380227
CID 166637526
CID 166637526

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine (CID 19886181) is (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine is CS(=O)(=O)c1ccc(-c2cc(C(N)c3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is QHMVXNHKGYZHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-24(22,23)14-8-4-11(5-9-14)15-10-16(21-20-15)17(19)12-2-6-13(18)7-3-12/h2-10,17H,19H2,1H3,(H,20,21).
What are the key properties of (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine?
(4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 345.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 19886181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).