2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid

C6H5F3N2O2 — CID 55267971

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5-3(1-4(12)13)2-10-11-5/h2H,1H2,(H,10,11)(H,12,13)
InChIKeyNRLHGPNIBHGGPE-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.06
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid

2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 55267971) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid
PubChem CID55267971
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5-3(1-4(12)13)2-10-11-5/h2H,1H2,(H,10,11)(H,12,13)
InChIKeyNRLHGPNIBHGGPE-UHFFFAOYSA-N
XLogP1.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid (CID 55267971) is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid is O=C(O)Cc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is NRLHGPNIBHGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)5-3(1-4(12)13)2-10-11-5/h2H,1H2,(H,10,11)(H,12,13).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid?
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 194.11 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 55267971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).