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

C8H10N2O2 — CID 11845295

IUPAC6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
SMILESCC1CCc2c(C(=O)O)n[nH]c21
InChIInChI=1S/C8H10N2O2/c1-4-2-3-5-6(4)9-10-7(5)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyNFQIURPKSWTDGP-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.16
Rot. Bonds1

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

6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 11845295) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID11845295
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
SMILESCC1CCc2c(C(=O)O)n[nH]c21
InChIInChI=1S/C8H10N2O2/c1-4-2-3-5-6(4)9-10-7(5)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyNFQIURPKSWTDGP-UHFFFAOYSA-N
XLogP1.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid (CID 11845295) is 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid is CC1CCc2c(C(=O)O)n[nH]c21.
What is the InChIKey of 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is NFQIURPKSWTDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-2-3-5-6(4)9-10-7(5)8(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid?
6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 11845295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).