methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate

C14H19F3N2O2 — CID 67313358

IUPACmethyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILESCOC(=O)C(CC1CCCC1)n1ncc(C(F)(F)F)c1C
InChIInChI=1S/C14H19F3N2O2/c1-9-11(14(15,16)17)8-18-19(9)12(13(20)21-2)7-10-5-3-4-6-10/h8,10,12H,3-7H2,1-2H3
InChIKeyHNDXGWPYZRPRNI-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.50
Rot. Bonds4

About methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate

methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate (PubChem CID 67313358) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
PubChem CID67313358
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Namemethyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILESCOC(=O)C(CC1CCCC1)n1ncc(C(F)(F)F)c1C
InChIInChI=1S/C14H19F3N2O2/c1-9-11(14(15,16)17)8-18-19(9)12(13(20)21-2)7-10-5-3-4-6-10/h8,10,12H,3-7H2,1-2H3
InChIKeyHNDXGWPYZRPRNI-UHFFFAOYSA-N
XLogP3.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 58437089
(2S)-3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 58437113
methyl (2S)-3-cyclopentyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233404
methyl (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233409
methyl (2S)-3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233416
Methyl 3-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67130796
Methyl 3-cyclopentyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67313372
Methyl 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67388027
3-Cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 68611224
3-Cyclopentyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 68611842
Ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 156823400
methyl (2S)-3-cyclopentyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate;methyl (2S)-3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 158049855

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate?
The IUPAC name of methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate (CID 67313358) is methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate.
What is the SMILES notation for methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate?
The canonical SMILES for methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate is COC(=O)C(CC1CCCC1)n1ncc(C(F)(F)F)c1C.
What is the InChIKey of methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate?
The InChIKey is HNDXGWPYZRPRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9-11(14(15,16)17)8-18-19(9)12(13(20)21-2)7-10-5-3-4-6-10/h8,10,12H,3-7H2,1-2H3.
What are the key properties of methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate?
methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate has a molecular weight of 304.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate is sourced from PubChem (CID 67313358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).