1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine

C12H14FN3 — CID 7019295

IUPAC1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cc2ccccc2F)c(C)c1N
InChIInChI=1S/C12H14FN3/c1-8-12(14)9(2)16(15-8)7-10-5-3-4-6-11(10)13/h3-6H,7,14H2,1-2H3
InChIKeyFORLBQHCNWXONX-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.27
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine

1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 7019295) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID7019295
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cc2ccccc2F)c(C)c1N
InChIInChI=1S/C12H14FN3/c1-8-12(14)9(2)16(15-8)7-10-5-3-4-6-11(10)13/h3-6H,7,14H2,1-2H3
InChIKeyFORLBQHCNWXONX-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide
CID 22206180
1-benzyl-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19343683
1-(4-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381589
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 45052778
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 43445438
1-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methoxypropyl)thiourea
CID 19343693
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
CID 19408274
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087
2-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 63094942
ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 144540735
2-fluoro-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 107347654

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine (CID 7019295) is 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine is Cc1nn(Cc2ccccc2F)c(C)c1N.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is FORLBQHCNWXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-12(14)9(2)16(15-8)7-10-5-3-4-6-11(10)13/h3-6H,7,14H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 219.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 7019295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).