4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole

C10H10F2N2 — CID 163740285

IUPAC4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole
SMILESCn1cc(C2=CC(F)=CC(F)C2)cn1
InChIInChI=1S/C10H10F2N2/c1-14-6-8(5-13-14)7-2-9(11)4-10(12)3-7/h2,4-6,10H,3H2,1H3
InChIKeyLHDQFHHWOAPRBU-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.40
Rot. Bonds1

About 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole

4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole (PubChem CID 163740285) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole
PubChem CID163740285
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole
SMILESCn1cc(C2=CC(F)=CC(F)C2)cn1
InChIInChI=1S/C10H10F2N2/c1-14-6-8(5-13-14)7-2-9(11)4-10(12)3-7/h2,4-6,10H,3H2,1H3
InChIKeyLHDQFHHWOAPRBU-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-Difluorophenyl)-1-methyl-1H-pyrazole
CID 4667930
4-Benzyl-1-(trifluoromethyl)pyrazole
CID 60153216
1-[(4-Fluorophenyl)methyl]-4-propylpyrazole
CID 70850591
1-[(2,4-Difluorophenyl)methyl]-4-propylpyrazole
CID 70850602
1-[(2-Fluorophenyl)methyl]-4-propylpyrazole
CID 70850606
4-Ethyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 89616147
1-[(2,4-Difluorophenyl)methyl]-4-ethylpyrazole
CID 89616167
4-Ethyl-1-[(4-fluorophenyl)methyl]pyrazole
CID 89616169
4-(4,4-Difluorocyclohex-1-en-1-yl)-1-(methoxymethyl)-1H-pyrazole
CID 89962122
4-(Cyclopenten-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162174
4-(Cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162202
4-(Cyclohexen-1-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 90167694

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole?
The IUPAC name of 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole (CID 163740285) is 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole.
What is the SMILES notation for 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole?
The canonical SMILES for 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole is Cn1cc(C2=CC(F)=CC(F)C2)cn1.
What is the InChIKey of 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole?
The InChIKey is LHDQFHHWOAPRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-14-6-8(5-13-14)7-2-9(11)4-10(12)3-7/h2,4-6,10H,3H2,1H3.
What are the key properties of 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole?
4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole has a molecular weight of 196.20 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 4-(3,5-difluorocyclohexa-1,3-dien-1-yl)-1-methylpyrazole is sourced from PubChem (CID 163740285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).