2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole

C11H13FN2 — CID 141176720

IUPAC2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C11H13FN2/c1-8-3-4-10(7-11(8)12)14-6-5-9(2)13-14/h3-4,7H,5-6H2,1-2H3
InChIKeyJHRADHFQAYPCDN-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.72
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole

2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole (PubChem CID 141176720) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole
PubChem CID141176720
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C11H13FN2/c1-8-3-4-10(7-11(8)12)14-6-5-9(2)13-14/h3-4,7H,5-6H2,1-2H3
InChIKeyJHRADHFQAYPCDN-UHFFFAOYSA-N
XLogP2.72
TPSA15.60 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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole (CID 141176720) is 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole is CC1=NN(c2ccc(C)c(F)c2)CC1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole?
The InChIKey is JHRADHFQAYPCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8-3-4-10(7-11(8)12)14-6-5-9(2)13-14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole?
2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole has a molecular weight of 192.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-5-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 141176720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).