propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate

C10H12ClF3N2O2 — CID 779330

IUPACpropan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)OC(C)C
InChIInChI=1S/C10H12ClF3N2O2/c1-5(2)18-7(17)4-16-6(3)8(11)9(15-16)10(12,13)14/h5H,4H2,1-3H3
InChIKeyQSNQOGWPYZQJBD-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.82
Rot. Bonds3

About propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate

propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 779330) has the molecular formula C10H12ClF3N2O2 and a molecular weight of 284.67 g/mol. Its IUPAC name is propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID779330
Molecular FormulaC10H12ClF3N2O2
Molecular Weight284.67 g/mol
Exact Mass284.05
IUPAC Namepropan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)OC(C)C
InChIInChI=1S/C10H12ClF3N2O2/c1-5(2)18-7(17)4-16-6(3)8(11)9(15-16)10(12,13)14/h5H,4H2,1-3H3
InChIKeyQSNQOGWPYZQJBD-UHFFFAOYSA-N
XLogP2.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 919266
ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
CID 3460028
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-N-(2-methoxy-ethyl)-acetamide
CID 645072
(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
CID 1876853
ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 757300
ethyl 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 667784
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 17024557
[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid
CID 1229759
(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 40440094
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(morpholin-4-yl)propan-1-one
CID 4768699
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 7018484

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate (CID 779330) is propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is QSNQOGWPYZQJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2/c1-5(2)18-7(17)4-16-6(3)8(11)9(15-16)10(12,13)14/h5H,4H2,1-3H3.
What are the key properties of propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate?
propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 284.67 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 779330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).