3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid

C11H14N2O2 — CID 83861592

IUPAC3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(C2CC2)c2c1CCC2C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13-8-5-4-7(11(14)15)9(8)10(12-13)6-2-3-6/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVUVBQBFYHSTIAO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.41
Rot. Bonds2

About 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid

3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83861592) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83861592
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(C2CC2)c2c1CCC2C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13-8-5-4-7(11(14)15)9(8)10(12-13)6-2-3-6/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVUVBQBFYHSTIAO-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
2,2-difluoro-3-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 165490617
2-fluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165493434
2,2-difluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165874559
2-(5-Cyclopropyl-1,3-dimethylpyrazol-4-yl)acetic acid
CID 123181406
1-acetyl-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 134168014
2-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 82409114
2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 82414342
4-(2,4,5-Trimethylpyrazol-3-yl)butanoic acid
CID 83858628
4-(1,4,5-Trimethylpyrazol-3-yl)butanoic acid
CID 83858641
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861433
3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861440

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83861592) is 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is Cn1nc(C2CC2)c2c1CCC2C(=O)O.
What is the InChIKey of 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is VUVBQBFYHSTIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-8-5-4-7(11(14)15)9(8)10(12-13)6-2-3-6/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).