2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine

C12H14FN3O — CID 65096517

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCOc1ccc(Cn2nc(C)cc2N)cc1F
InChIInChI=1S/C12H14FN3O/c1-8-5-12(14)16(15-8)7-9-3-4-11(17-2)10(13)6-9/h3-6H,7,14H2,1-2H3
InChIKeyDPHQRZMZOQBFES-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.97
Rot. Bonds3

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine

2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 65096517) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID65096517
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCOc1ccc(Cn2nc(C)cc2N)cc1F
InChIInChI=1S/C12H14FN3O/c1-8-5-12(14)16(15-8)7-9-3-4-11(17-2)10(13)6-9/h3-6H,7,14H2,1-2H3
InChIKeyDPHQRZMZOQBFES-UHFFFAOYSA-N
XLogP1.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine
CID 58054511
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine
CID 65096444
5-bromo-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole
CID 83666011
2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
CID 20511335
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 105122368
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61225934
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82303624
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 53193037
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
CID 95274185
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950536

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine (CID 65096517) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine is COc1ccc(Cn2nc(C)cc2N)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is DPHQRZMZOQBFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-5-12(14)16(15-8)7-9-3-4-11(17-2)10(13)6-9/h3-6H,7,14H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 65096517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).