(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate

C7H6F3N2O2- — CID 7017527

IUPAC(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILESC[C@H](C(=O)[O-])n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c1-4(6(13)14)12-3-2-5(11-12)7(8,9)10/h2-4H,1H3,(H,13,14)/p-1/t4-/m1/s1
InChIKeyZCDVKVBJBHRXQO-SCSAIBSYSA-M
MW207.13 g/mol
LogP0.21
Rot. Bonds2

About (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate

(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate (PubChem CID 7017527) has the molecular formula C7H6F3N2O2- and a molecular weight of 207.13 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
PubChem CID7017527
Molecular FormulaC7H6F3N2O2-
Molecular Weight207.13 g/mol
Exact Mass207.04
IUPAC Name(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILESC[C@H](C(=O)[O-])n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c1-4(6(13)14)12-3-2-5(11-12)7(8,9)10/h2-4H,1H3,(H,13,14)/p-1/t4-/m1/s1
InChIKeyZCDVKVBJBHRXQO-SCSAIBSYSA-M
XLogP0.21
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 2060883
3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 776840
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
Ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 2064143
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 19616490
methyl 3-(3-methyl-1H-pyrazol-1-yl)propanoate
CID 786247
Ethyl 3-methyl-1H-pyrazole-1-acetate
CID 4578874
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
5-(Trifluoromethyl)-1H-pyrazole-1-acetic acid
CID 11127131
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 19616392
2-(3-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66015345

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate?
The IUPAC name of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate (CID 7017527) is (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate.
What is the SMILES notation for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate?
The canonical SMILES for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate is C[C@H](C(=O)[O-])n1ccc(C(F)(F)F)n1.
What is the InChIKey of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate?
The InChIKey is ZCDVKVBJBHRXQO-SCSAIBSYSA-M. The full InChI is InChI=1S/C7H7F3N2O2/c1-4(6(13)14)12-3-2-5(11-12)7(8,9)10/h2-4H,1H3,(H,13,14)/p-1/t4-/m1/s1.
What are the key properties of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate?
(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate has a molecular weight of 207.13 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate is sourced from PubChem (CID 7017527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).