methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate

C8H10N2O2 — CID 2772075

IUPACmethyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C8H10N2O2/c1-12-8(11)7-5-3-2-4-6(5)9-10-7/h2-4H2,1H3,(H,9,10)
InChIKeyLOUYGUZFGBPISB-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.69
Rot. Bonds1

About methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate

methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate (PubChem CID 2772075) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
PubChem CID2772075
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C8H10N2O2/c1-12-8(11)7-5-3-2-4-6(5)9-10-7/h2-4H2,1H3,(H,9,10)
InChIKeyLOUYGUZFGBPISB-UHFFFAOYSA-N
XLogP0.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate?
The IUPAC name of methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate (CID 2772075) is methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate is COC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate?
The InChIKey is LOUYGUZFGBPISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-8(11)7-5-3-2-4-6(5)9-10-7/h2-4H2,1H3,(H,9,10).
What are the key properties of methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate?
methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate is sourced from PubChem (CID 2772075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).