5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole

C7H7F5N2 — CID 141090077

IUPAC5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)CCc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C7H7F5N2/c8-6(9)2-1-5-4(3-13-14-5)7(10,11)12/h3,6H,1-2H2,(H,13,14)
InChIKeyFYPBADXSPRGCBR-UHFFFAOYSA-N
MW214.14 g/mol
LogP2.63
Rot. Bonds3

About 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole

5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 141090077) has the molecular formula C7H7F5N2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole
PubChem CID141090077
Molecular FormulaC7H7F5N2
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)CCc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C7H7F5N2/c8-6(9)2-1-5-4(3-13-14-5)7(10,11)12/h3,6H,1-2H2,(H,13,14)
InChIKeyFYPBADXSPRGCBR-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole (CID 141090077) is 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole is FC(F)CCc1[nH]ncc1C(F)(F)F.
What is the InChIKey of 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is FYPBADXSPRGCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2/c8-6(9)2-1-5-4(3-13-14-5)7(10,11)12/h3,6H,1-2H2,(H,13,14).
What are the key properties of 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole?
5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 214.14 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropropyl)-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 141090077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).