3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole

C7H10F2N2 — CID 89310016

IUPAC3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole
SMILESCCc1c(C(F)F)n[nH]c1C
InChIInChI=1S/C7H10F2N2/c1-3-5-4(2)10-11-6(5)7(8)9/h7H,3H2,1-2H3,(H,10,11)
InChIKeyYJABZPONMRCNSG-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.22
Rot. Bonds2

About 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole

3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole (PubChem CID 89310016) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole
PubChem CID89310016
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole
SMILESCCc1c(C(F)F)n[nH]c1C
InChIInChI=1S/C7H10F2N2/c1-3-5-4(2)10-11-6(5)7(8)9/h7H,3H2,1-2H3,(H,10,11)
InChIKeyYJABZPONMRCNSG-UHFFFAOYSA-N
XLogP2.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole?
The IUPAC name of 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole (CID 89310016) is 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole is CCc1c(C(F)F)n[nH]c1C.
What is the InChIKey of 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole?
The InChIKey is YJABZPONMRCNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-3-5-4(2)10-11-6(5)7(8)9/h7H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole?
3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole has a molecular weight of 160.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole is sourced from PubChem (CID 89310016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).