3-(difluoromethyl)-1-methylpyrazole

C5H6F2N2 — CID 54241061

IUPAC3-(difluoromethyl)-1-methylpyrazole
SMILESCn1ccc(C(F)F)n1
InChIInChI=1S/C5H6F2N2/c1-9-3-2-4(8-9)5(6)7/h2-3,5H,1H3
InChIKeyJQDCYDWZWBUECX-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.36
Rot. Bonds1

About 3-(difluoromethyl)-1-methylpyrazole

3-(difluoromethyl)-1-methylpyrazole (PubChem CID 54241061) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrazole
PubChem CID54241061
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name3-(difluoromethyl)-1-methylpyrazole
SMILESCn1ccc(C(F)F)n1
InChIInChI=1S/C5H6F2N2/c1-9-3-2-4(8-9)5(6)7/h2-3,5H,1H3
InChIKeyJQDCYDWZWBUECX-UHFFFAOYSA-N
XLogP1.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 79096
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CID 7019421
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CID 136502
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CID 127159
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CID 423923
CID 423923
CID 2794651
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CID 13764853
CID 13764853
CID 15420922
CID 15420922
CID 12747510
CID 12747510
CID 170067118
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CID 672403
CID 672403
CID 19616726
CID 19616726

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrazole (CID 54241061) is 3-(difluoromethyl)-1-methylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrazole is Cn1ccc(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrazole?
The InChIKey is JQDCYDWZWBUECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2/c1-9-3-2-4(8-9)5(6)7/h2-3,5H,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylpyrazole?
3-(difluoromethyl)-1-methylpyrazole has a molecular weight of 132.11 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrazole is sourced from PubChem (CID 54241061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).