1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole

C14H11FN2 — CID 141036229

IUPAC1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole
SMILESCc1ccn(-c2cc3ccccc3cc2F)n1
InChIInChI=1S/C14H11FN2/c1-10-6-7-17(16-10)14-9-12-5-3-2-4-11(12)8-13(14)15/h2-9H,1H3
InChIKeyGJSAYRKBMKIQQW-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.47
Rot. Bonds1

About 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole

1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole (PubChem CID 141036229) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole
PubChem CID141036229
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole
SMILESCc1ccn(-c2cc3ccccc3cc2F)n1
InChIInChI=1S/C14H11FN2/c1-10-6-7-17(16-10)14-9-12-5-3-2-4-11(12)8-13(14)15/h2-9H,1H3
InChIKeyGJSAYRKBMKIQQW-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-methylpyrazol-1-yl)naphthalen-2-yl]methanamine
CID 139945596
2-fluoro-6-(3-methylpyrazol-1-yl)aniline
CID 62494293
2-amino-4-fluoro-5-(3-methylpyrazol-1-yl)benzoic acid
CID 55078880
(1S)-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 78941388
1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 62488667
3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141068365
N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 55078546
1-(3-bromo-2-fluorophenyl)-3-methylpyrazole
CID 170648449
1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 62487974
5-fluoro-2-(3-methylpyrazol-1-yl)benzaldehyde
CID 62489155
ethane;3-methyl-1-phenylpyrazole
CID 91357840
(E)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]prop-2-enoic acid
CID 62491216

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole?
The IUPAC name of 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole (CID 141036229) is 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole.
What is the SMILES notation for 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole?
The canonical SMILES for 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole is Cc1ccn(-c2cc3ccccc3cc2F)n1.
What is the InChIKey of 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole?
The InChIKey is GJSAYRKBMKIQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-10-6-7-17(16-10)14-9-12-5-3-2-4-11(12)8-13(14)15/h2-9H,1H3.
What are the key properties of 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole?
1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole has a molecular weight of 226.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole is sourced from PubChem (CID 141036229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).