(3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine

C17H16FN3 — CID 107130387

IUPAC(3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2ccn(-c3ccccc3)n2)cc1F
InChIInChI=1S/C17H16FN3/c1-12-7-8-13(11-15(12)18)17(19)16-9-10-21(20-16)14-5-3-2-4-6-14/h2-11,17H,19H2,1H3
InChIKeyZXKUGTPHKFVHBO-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.37
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine

(3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine (PubChem CID 107130387) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine
PubChem CID107130387
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name(3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2ccn(-c3ccccc3)n2)cc1F
InChIInChI=1S/C17H16FN3/c1-12-7-8-13(11-15(12)18)17(19)16-9-10-21(20-16)14-5-3-2-4-6-14/h2-11,17H,19H2,1H3
InChIKeyZXKUGTPHKFVHBO-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 105155569
(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 105150847
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 105092106
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124203
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 107361673
1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
CID 107129090
(3-fluoro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156098
(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine (CID 107130387) is (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine is Cc1ccc(C(N)c2ccn(-c3ccccc3)n2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine?
The InChIKey is ZXKUGTPHKFVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-7-8-13(11-15(12)18)17(19)16-9-10-21(20-16)14-5-3-2-4-6-14/h2-11,17H,19H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine?
(3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine has a molecular weight of 281.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107130387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).