(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

C15H19F2N3O — CID 105048346

IUPAC(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2N3O/c1-8(2)20-15(11(21-4)7-19-20)14(18)12-10(16)6-5-9(3)13(12)17/h5-8,14H,18H2,1-4H3
InChIKeyREEFTQLQPCLWOA-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.11
Rot. Bonds4

About (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 105048346) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID105048346
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2N3O/c1-8(2)20-15(11(21-4)7-19-20)14(18)12-10(16)6-5-9(3)13(12)17/h5-8,14H,18H2,1-4H3
InChIKeyREEFTQLQPCLWOA-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.11
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-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048143
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanamine
CID 114648806
(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646284
[(3-fluoro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105201541
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810393
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658533
(2-bromo-3,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538311
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105042056
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (CID 105048346) is (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is COc1cnn(C(C)C)c1C(N)c1c(F)ccc(C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is REEFTQLQPCLWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-8(2)20-15(11(21-4)7-19-20)14(18)12-10(16)6-5-9(3)13(12)17/h5-8,14H,18H2,1-4H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 295.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105048346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).