(2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

C15H20FN3O — CID 105048143

IUPAC(2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)c1cc(C)ccc1F
InChIInChI=1S/C15H20FN3O/c1-9(2)19-15(13(20-4)8-18-19)14(17)11-7-10(3)5-6-12(11)16/h5-9,14H,17H2,1-4H3
InChIKeyYBPCZAAESITFTG-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.97
Rot. Bonds4

About (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

(2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 105048143) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID105048143
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)c1cc(C)ccc1F
InChIInChI=1S/C15H20FN3O/c1-9(2)19-15(13(20-4)8-18-19)14(17)11-7-10(3)5-6-12(11)16/h5-9,14H,17H2,1-4H3
InChIKeyYBPCZAAESITFTG-UHFFFAOYSA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105048161
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048346
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanamine
CID 114648806
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646284
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 105042180
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643601
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
[(3-fluoro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105201541
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105042056
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (CID 105048143) is (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is COc1cnn(C(C)C)c1C(N)c1cc(C)ccc1F.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is YBPCZAAESITFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-9(2)19-15(13(20-4)8-18-19)14(17)11-7-10(3)5-6-12(11)16/h5-9,14H,17H2,1-4H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
(2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 277.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105048143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).