2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

C10H13F3N2O3 — CID 163846633

IUPAC2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESCc1c(C(F)(F)F)nn(CC(=O)O)c1CC(C)O
InChIInChI=1S/C10H13F3N2O3/c1-5(16)3-7-6(2)9(10(11,12)13)14-15(7)4-8(17)18/h5,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyOQTNFOTYEKVODV-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.22
Rot. Bonds4

About 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (PubChem CID 163846633) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
PubChem CID163846633
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESCc1c(C(F)(F)F)nn(CC(=O)O)c1CC(C)O
InChIInChI=1S/C10H13F3N2O3/c1-5(16)3-7-6(2)9(10(11,12)13)14-15(7)4-8(17)18/h5,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyOQTNFOTYEKVODV-UHFFFAOYSA-N
XLogP1.22
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (CID 163846633) is 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is Cc1c(C(F)(F)F)nn(CC(=O)O)c1CC(C)O.
What is the InChIKey of 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The InChIKey is OQTNFOTYEKVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-5(16)3-7-6(2)9(10(11,12)13)14-15(7)4-8(17)18/h5,16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid has a molecular weight of 266.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxypropyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 163846633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).