ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate

C9H11F3N2O2 — CID 121256213

IUPACethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate
SMILESCCOC(=O)Cc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C9H11F3N2O2/c1-3-16-8(15)5-6-4-7(9(10,11)12)13-14(6)2/h4H,3,5H2,1-2H3
InChIKeyWKAHVNAQRFKEAL-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.54
Rot. Bonds3

About ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate

ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate (PubChem CID 121256213) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate
PubChem CID121256213
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Nameethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate
SMILESCCOC(=O)Cc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C9H11F3N2O2/c1-3-16-8(15)5-6-4-7(9(10,11)12)13-14(6)2/h4H,3,5H2,1-2H3
InChIKeyWKAHVNAQRFKEAL-UHFFFAOYSA-N
XLogP1.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dimethyl-1H-pyrazol-5-yl)acetic acid
CID 15321738
Ethyl [3-(heptafluoropropyl)-1-methyl-1H-pyrazol-5-yl]acetate
CID 102191289
Ethyl [5-(heptafluoropropyl)-1-methyl-1H-pyrazol-3-yl]acetate
CID 125472166
2-(1,5-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 23397163
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-acetic acid
CID 50896679
2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetic acid
CID 60136553
2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetaldehyde
CID 165999670
2-(1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropanoic acid
CID 105440103
2-(1,3-dimethyl-1H-pyrazol-5-yl)acetic acid hydrochloride
CID 137935853
Methyl 1-(1,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxylate
CID 139219161
3-(2,2-Dimethoxyethyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 125424901
Methyl 2-[4-iodo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetate
CID 11717222

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate?
The IUPAC name of ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate (CID 121256213) is ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate is CCOC(=O)Cc1cc(C(F)(F)F)nn1C.
What is the InChIKey of ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate?
The InChIKey is WKAHVNAQRFKEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-3-16-8(15)5-6-4-7(9(10,11)12)13-14(6)2/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate?
ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate has a molecular weight of 236.19 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetate is sourced from PubChem (CID 121256213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).