2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine

C11H12FN3 — CID 62122331

IUPAC2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1cc(Cn2nccc2N)ccc1F
InChIInChI=1S/C11H12FN3/c1-8-6-9(2-3-10(8)12)7-15-11(13)4-5-14-15/h2-6H,7,13H2,1H3
InChIKeyXSMDDAUFZNJVBK-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.96
Rot. Bonds2

About 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine

2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine (PubChem CID 62122331) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
PubChem CID62122331
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1cc(Cn2nccc2N)ccc1F
InChIInChI=1S/C11H12FN3/c1-8-6-9(2-3-10(8)12)7-15-11(13)4-5-14-15/h2-6H,7,13H2,1H3
InChIKeyXSMDDAUFZNJVBK-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 114453200
2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine
CID 83230356
2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine;hydrochloride
CID 43810580
[2-[(3-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]methanamine
CID 103041553
4-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 39243567
2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 1096899
3-[(4-fluoro-3-methylphenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 142152959
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine
CID 55063393
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
ethyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 82589221
methyl 2-[(3,4-difluorophenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 70929032
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine (CID 62122331) is 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine is Cc1cc(Cn2nccc2N)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine?
The InChIKey is XSMDDAUFZNJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8-6-9(2-3-10(8)12)7-15-11(13)4-5-14-15/h2-6H,7,13H2,1H3.
What are the key properties of 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine?
2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine has a molecular weight of 205.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 62122331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).