4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane

C9H16F2N2 — CID 165139530

IUPAC4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
SMILESCC.CCc1nn(C)cc1C(F)F
InChIInChI=1S/C7H10F2N2.C2H6/c1-3-6-5(7(8)9)4-11(2)10-6;1-2/h4,7H,3H2,1-2H3;1-2H3
InChIKeyNZIXIWBUSQXUGV-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.95
Rot. Bonds2

About 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane

4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane (PubChem CID 165139530) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane.

Molecular Properties

Compound Name4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
PubChem CID165139530
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
SMILESCC.CCc1nn(C)cc1C(F)F
InChIInChI=1S/C7H10F2N2.C2H6/c1-3-6-5(7(8)9)4-11(2)10-6;1-2/h4,7H,3H2,1-2H3;1-2H3
InChIKeyNZIXIWBUSQXUGV-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
CID 112671170
N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669590
4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 112670850
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
[1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-dimethylpropyl]hydrazine
CID 102813091
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
CID 112671490

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane?
The IUPAC name of 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane (CID 165139530) is 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane.
What is the SMILES notation for 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane?
The canonical SMILES for 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane is CC.CCc1nn(C)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane?
The InChIKey is NZIXIWBUSQXUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2.C2H6/c1-3-6-5(7(8)9)4-11(2)10-6;1-2/h4,7H,3H2,1-2H3;1-2H3.
What are the key properties of 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane?
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane has a molecular weight of 190.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane is sourced from PubChem (CID 165139530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).