3-(4-fluoro-2-methylphenyl)-1-methylpyrazole

C11H11FN2 — CID 140621702

IUPAC3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
SMILESCc1cc(F)ccc1-c1ccn(C)n1
InChIInChI=1S/C11H11FN2/c1-8-7-9(12)3-4-10(8)11-5-6-14(2)13-11/h3-7H,1-2H3
InChIKeySNVOGHIZEYUZQK-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.53
Rot. Bonds1

About 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole

3-(4-fluoro-2-methylphenyl)-1-methylpyrazole (PubChem CID 140621702) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
PubChem CID140621702
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
SMILESCc1cc(F)ccc1-c1ccn(C)n1
InChIInChI=1S/C11H11FN2/c1-8-7-9(12)3-4-10(8)11-5-6-14(2)13-11/h3-7H,1-2H3
InChIKeySNVOGHIZEYUZQK-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methylphenyl)-1-methylpyrazole
CID 176555071
5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621696
4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587
5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine
CID 168964997
N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
CID 176940677
fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 140599675
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195470
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
3-[5-(4-fluorophenyl)-2-nitrophenyl]-1-methylpyrazole
CID 169043520
4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119586
4-(4-fluorophenyl)-5-methoxy-2-(1-methylpyrazol-3-yl)aniline
CID 168964683
4-methyl-3-(1-methylpyrazol-3-yl)benzoic acid
CID 103131524

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole (CID 140621702) is 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole is Cc1cc(F)ccc1-c1ccn(C)n1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole?
The InChIKey is SNVOGHIZEYUZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-8-7-9(12)3-4-10(8)11-5-6-14(2)13-11/h3-7H,1-2H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole?
3-(4-fluoro-2-methylphenyl)-1-methylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-1-methylpyrazole is sourced from PubChem (CID 140621702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).