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

C5H5F3N2 — CID 144510928

IUPAC5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole
SMILESCc1c(F)n[nH]c1C(F)F
InChIInChI=1S/C5H5F3N2/c1-2-3(4(6)7)9-10-5(2)8/h4H,1H3,(H,9,10)
InChIKeyWVGDPBNJRSNIDQ-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.79
Rot. Bonds1

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

5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole (PubChem CID 144510928) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole
PubChem CID144510928
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole
SMILESCc1c(F)n[nH]c1C(F)F
InChIInChI=1S/C5H5F3N2/c1-2-3(4(6)7)9-10-5(2)8/h4H,1H3,(H,9,10)
InChIKeyWVGDPBNJRSNIDQ-UHFFFAOYSA-N
XLogP1.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-3,5-dimethyl-1H-pyrazole
CID 19382744
4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 11480632
5-iodo-3,4-dimethyl-1H-pyrazole
CID 22088055
5-bromo-3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125448910
3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 59018939
potassium trifluoro(3-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl)boranuide
CID 137833687
4-Chloro-3-fluoro-5-methyl-1H-pyrazole
CID 14849320
3,4-difluoro-5-methyl-1H-pyrazole
CID 14849321
3-fluoro-4,5-dimethyl-1H-pyrazole
CID 14849324
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 18735151
3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole
CID 20719699
4-fluoro-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 57840650

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole (CID 144510928) is 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole is Cc1c(F)n[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole?
The InChIKey is WVGDPBNJRSNIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c1-2-3(4(6)7)9-10-5(2)8/h4H,1H3,(H,9,10).
What are the key properties of 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole?
5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole has a molecular weight of 150.10 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyrazole is sourced from PubChem (CID 144510928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).