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

C15H20FN3O — CID 114659181

IUPAC(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1cc(C)cc(F)c1
InChIInChI=1S/C15H20FN3O/c1-4-5-19-15(13(20-3)9-18-19)14(17)11-6-10(2)7-12(16)8-11/h6-9,14H,4-5,17H2,1-3H3
InChIKeyJWZSHSRJBRWHTF-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.80
Rot. Bonds5

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

(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 114659181) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID114659181
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1cc(C)cc(F)c1
InChIInChI=1S/C15H20FN3O/c1-4-5-19-15(13(20-3)9-18-19)14(17)11-6-10(2)7-12(16)8-11/h6-9,14H,4-5,17H2,1-3H3
InChIKeyJWZSHSRJBRWHTF-UHFFFAOYSA-N
XLogP2.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048875
(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048908
(4-methoxy-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105187158
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048739
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 114659181) is (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)c1cc(C)cc(F)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is JWZSHSRJBRWHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-5-19-15(13(20-3)9-18-19)14(17)11-6-10(2)7-12(16)8-11/h6-9,14H,4-5,17H2,1-3H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 277.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114659181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).