2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole

C11H13FN2 — CID 150439105

IUPAC2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole
SMILESCC1=CCN(c2ccc(F)cc2)N1C
InChIInChI=1S/C11H13FN2/c1-9-7-8-14(13(9)2)11-5-3-10(12)4-6-11/h3-7H,8H2,1-2H3
InChIKeyHLJUOLWBWBDUTG-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.40
Rot. Bonds1

About 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole

2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole (PubChem CID 150439105) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole
PubChem CID150439105
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole
SMILESCC1=CCN(c2ccc(F)cc2)N1C
InChIInChI=1S/C11H13FN2/c1-9-7-8-14(13(9)2)11-5-3-10(12)4-6-11/h3-7H,8H2,1-2H3
InChIKeyHLJUOLWBWBDUTG-UHFFFAOYSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-methylpyrazolidine
CID 59602837
1-(4-fluorophenyl)-2-methyldiazinane
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CID 142798426
(3aR,7aR)-2-(4-fluorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 727818
2-(4-fluorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2860627
(3aS,6aS)-5-(4-fluorophenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170208688
2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
CID 90325892
1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one
CID 129089344
1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid
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1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
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1-(4-fluorophenyl)-3-phenyl-2H-imidazole
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1-fluoro-4-methylbenzene;methane
CID 158431518

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole?
The IUPAC name of 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole (CID 150439105) is 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole?
The canonical SMILES for 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole is CC1=CCN(c2ccc(F)cc2)N1C.
What is the InChIKey of 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole?
The InChIKey is HLJUOLWBWBDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-9-7-8-14(13(9)2)11-5-3-10(12)4-6-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole?
2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole has a molecular weight of 192.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,5-dimethyl-3H-pyrazole is sourced from PubChem (CID 150439105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).