2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole

C10H12F2N2 — CID 163741734

IUPAC2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole
SMILESCC1(N2CC=CN2)C=C(F)C(F)=CC1
InChIInChI=1S/C10H12F2N2/c1-10(14-6-2-5-13-14)4-3-8(11)9(12)7-10/h2-3,5,7,13H,4,6H2,1H3
InChIKeyLIJGZKLNKPHSDK-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.19
Rot. Bonds1

About 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole

2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole (PubChem CID 163741734) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole
PubChem CID163741734
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole
SMILESCC1(N2CC=CN2)C=C(F)C(F)=CC1
InChIInChI=1S/C10H12F2N2/c1-10(14-6-2-5-13-14)4-3-8(11)9(12)7-10/h2-3,5,7,13H,4,6H2,1H3
InChIKeyLIJGZKLNKPHSDK-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole;ethane
CID 143926110
(E)-N-[(2,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-4-(2,2-dimethylhydrazinyl)but-3-en-2-amine
CID 143448670
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
CID 143926111
5,5-dimethyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyridine
CID 149610040
6H-pyrido[2,1-i]indazole
CID 173685970
4-[2-(1,3-dihydropyrazol-2-yl)ethenyl]-1-N,4-N-diethylcyclohexa-1,5-diene-1,4-diamine
CID 174588174

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole?
The IUPAC name of 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole (CID 163741734) is 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole.
What is the SMILES notation for 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole?
The canonical SMILES for 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole is CC1(N2CC=CN2)C=C(F)C(F)=CC1.
What is the InChIKey of 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole?
The InChIKey is LIJGZKLNKPHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-10(14-6-2-5-13-14)4-3-8(11)9(12)7-10/h2-3,5,7,13H,4,6H2,1H3.
What are the key properties of 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole?
2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole has a molecular weight of 198.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-1,3-dihydropyrazole is sourced from PubChem (CID 163741734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).