(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

C14H18FN3O — CID 114646284

IUPAC(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)c1cccc(F)c1
InChIInChI=1S/C14H18FN3O/c1-9(2)18-14(12(19-3)8-17-18)13(16)10-5-4-6-11(15)7-10/h4-9,13H,16H2,1-3H3
InChIKeySYQRHKSHWATDBD-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.66
Rot. Bonds4

About (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 114646284) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID114646284
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)c1cccc(F)c1
InChIInChI=1S/C14H18FN3O/c1-9(2)18-14(12(19-3)8-17-18)13(16)10-5-4-6-11(15)7-10/h4-9,13H,16H2,1-3H3
InChIKeySYQRHKSHWATDBD-UHFFFAOYSA-N
XLogP2.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646162
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanamine
CID 114648806
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105042056
(2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048143
(5-bromo-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114658286
(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
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048223
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
CID 114646500
[(2-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339550
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methanamine
CID 105048345

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (CID 114646284) is (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is COc1cnn(C(C)C)c1C(N)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is SYQRHKSHWATDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(2)18-14(12(19-3)8-17-18)13(16)10-5-4-6-11(15)7-10/h4-9,13H,16H2,1-3H3.
What are the key properties of (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 263.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114646284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).