ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate

C10H13FN2O2 — CID 83854578

IUPACethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CC(F)C2
InChIInChI=1S/C10H13FN2O2/c1-3-15-10(14)9-7-4-6(11)5-8(7)13(2)12-9/h6H,3-5H2,1-2H3
InChIKeyXVOOUVAIICFLHC-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.03
Rot. Bonds2

About ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate

ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate (PubChem CID 83854578) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
PubChem CID83854578
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Nameethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CC(F)C2
InChIInChI=1S/C10H13FN2O2/c1-3-15-10(14)9-7-4-6(11)5-8(7)13(2)12-9/h6H,3-5H2,1-2H3
InChIKeyXVOOUVAIICFLHC-UHFFFAOYSA-N
XLogP1.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate
CID 23005643
2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 24271363
Ethyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
CID 9855653
(4,4-difluoro-3-methylbut-3-enyl) 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate
CID 23020122
2,5-dimethyl-4-trifluoromethyl-2H-pyrazole-3-carboxylic acid ethyl ester
CID 57574500
Ethyl 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carboxylate
CID 57574539
ethyl 3-cyclopropyl-1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 58542524
ethyl 3-(2-fluoropropan-2-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 58542538
ethyl 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylate
CID 58559122
5-tert-Butyl-4-fluoro-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
CID 67413334
ethyl 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylate
CID 67442461

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate (CID 83854578) is ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate is CCOC(=O)c1nn(C)c2c1CC(F)C2.
What is the InChIKey of ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The InChIKey is XVOOUVAIICFLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-3-15-10(14)9-7-4-6(11)5-8(7)13(2)12-9/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate has a molecular weight of 212.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate is sourced from PubChem (CID 83854578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).