3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole

C10H16F2N2O — CID 118345077

IUPAC3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole
SMILESCCn1cc(CC(C)C)c(OC(F)F)n1
InChIInChI=1S/C10H16F2N2O/c1-4-14-6-8(5-7(2)3)9(13-14)15-10(11)12/h6-7,10H,4-5H2,1-3H3
InChIKeyLAVFLMLNKMNHJT-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.70
Rot. Bonds5

About 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole

3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole (PubChem CID 118345077) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole
PubChem CID118345077
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole
SMILESCCn1cc(CC(C)C)c(OC(F)F)n1
InChIInChI=1S/C10H16F2N2O/c1-4-14-6-8(5-7(2)3)9(13-14)15-10(11)12/h6-7,10H,4-5H2,1-3H3
InChIKeyLAVFLMLNKMNHJT-UHFFFAOYSA-N
XLogP2.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Difluoromethoxy)-4-ethyl-1-methylpyrazole
CID 53720359
3-(Difluoromethoxy)-1,4-diethylpyrazole
CID 122546068
4-(4-Fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole
CID 134540667
6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 159276308
4-Ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole
CID 167258922
1-(2,2-Difluoroethyl)-3-methoxy-4-propan-2-ylpyrazole
CID 168723661
1-(Difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole
CID 168723760
3-Methoxy-1-methyl-4-[5-[1-(trifluoromethyl)pyrazol-4-yl]hexan-2-yl]pyrazole
CID 169576700
6-Fluoro-6-methyl-3-pentan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 169834514
1-Cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole
CID 170175326
1-(2-Fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole
CID 170175328
3-(2,2-Difluoroethoxy)-4-ethyl-1-methylpyrazole
CID 170376151

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole?
The IUPAC name of 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole (CID 118345077) is 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole is CCn1cc(CC(C)C)c(OC(F)F)n1.
What is the InChIKey of 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole?
The InChIKey is LAVFLMLNKMNHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-4-14-6-8(5-7(2)3)9(13-14)15-10(11)12/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole?
3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole has a molecular weight of 218.25 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 118345077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).