5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid

C7H6F4N2O2 — CID 87941282

IUPAC5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)C(F)CF)[nH]n1
InChIInChI=1S/C7H6F4N2O2/c8-2-4(9)7(10,11)5-1-3(6(14)15)12-13-5/h1,4H,2H2,(H,12,13)(H,14,15)
InChIKeySERQBUFYNIDJGW-UHFFFAOYSA-N
MW226.13 g/mol
LogP1.51
Rot. Bonds4

About 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid

5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 87941282) has the molecular formula C7H6F4N2O2 and a molecular weight of 226.13 g/mol. Its IUPAC name is 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid
PubChem CID87941282
Molecular FormulaC7H6F4N2O2
Molecular Weight226.13 g/mol
Exact Mass226.04
IUPAC Name5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)C(F)CF)[nH]n1
InChIInChI=1S/C7H6F4N2O2/c8-2-4(9)7(10,11)5-1-3(6(14)15)12-13-5/h1,4H,2H2,(H,12,13)(H,14,15)
InChIKeySERQBUFYNIDJGW-UHFFFAOYSA-N
XLogP1.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole-3-carboxylic acid
CID 87941387
5-(2-methylbutan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 69116852
5-(1,1,2,3-tetrafluoropropyl)-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CID 87941115
5-[2-(2,4,5-trimethylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
CID 82488584
5-(dihydroxymethyl)-1H-pyrazole-3-carboxylic acid
CID 18740841
5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
CID 82485491
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 1229878
gadolinium(3+);bis(1H-pyrazole-3,5-dicarboxylic acid);hydrate
CID 23730641
5-[(Z)-2-aminoethenyl]-1H-pyrazole-3-carboxylic acid
CID 58810625
5-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid
CID 115093049
5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid
CID 58810628

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid (CID 87941282) is 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(C(F)(F)C(F)CF)[nH]n1.
What is the InChIKey of 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is SERQBUFYNIDJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2/c8-2-4(9)7(10,11)5-1-3(6(14)15)12-13-5/h1,4H,2H2,(H,12,13)(H,14,15).
What are the key properties of 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid?
5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 226.13 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,3-tetrafluoropropyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 87941282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).