(2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C13H16FN3O — CID 105046973

IUPAC(2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cccc(C)c1F
InChIInChI=1S/C13H16FN3O/c1-8-5-4-6-9(11(8)14)12(15)13-10(18-3)7-16-17(13)2/h4-7,12H,15H2,1-3H3
InChIKeyPNCWNCNZPSPJSI-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.92
Rot. Bonds3

About (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

(2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 105046973) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID105046973
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cccc(C)c1F
InChIInChI=1S/C13H16FN3O/c1-8-5-4-6-9(11(8)14)12(15)13-10(18-3)7-16-17(13)2/h4-7,12H,15H2,1-3H3
InChIKeyPNCWNCNZPSPJSI-UHFFFAOYSA-N
XLogP1.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 105046973) is (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1cnn(C)c1C(N)c1cccc(C)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is PNCWNCNZPSPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8-5-4-6-9(11(8)14)12(15)13-10(18-3)7-16-17(13)2/h4-7,12H,15H2,1-3H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
(2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 249.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105046973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).