ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate

C11H14F2N2O2 — CID 7017150

IUPACethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-2-17-10(16)6-15-9(11(12)13)5-8(14-15)7-3-4-7/h5,7,11H,2-4,6H2,1H3
InChIKeyJIUHAANXCQKIQZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.26
Rot. Bonds5

About ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate

ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate (PubChem CID 7017150) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate
PubChem CID7017150
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-2-17-10(16)6-15-9(11(12)13)5-8(14-15)7-3-4-7/h5,7,11H,2-4,6H2,1H3
InChIKeyJIUHAANXCQKIQZ-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-cyclopropyl-3-(difluoromethyl)-1-(2-ethoxy-2-oxoethyl)pyrazol-4-yl]acetic acid
CID 170886740
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19530124
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19530408
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19530300
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 19528068
ethyl 2-(3-cyclopropylpyrazol-1-yl)acetate
CID 25247560
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
CID 19530318
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19530182
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 19530209
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]ethanone
CID 19528055
ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
CID 19530246

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate (CID 7017150) is ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C2CC2)cc1C(F)F.
What is the InChIKey of ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is JIUHAANXCQKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-17-10(16)6-15-9(11(12)13)5-8(14-15)7-3-4-7/h5,7,11H,2-4,6H2,1H3.
What are the key properties of ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate?
ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 244.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 7017150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).