4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid

C14H19N3O3 — CID 162632727

IUPAC4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H19N3O3/c18-13(12-10-2-1-3-11(10)16-17-12)15-9-6-4-8(5-7-9)14(19)20/h8-9H,1-7H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyCNNHTSRKLFVENU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.27
Rot. Bonds3

About 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid

4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 162632727) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID162632727
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H19N3O3/c18-13(12-10-2-1-3-11(10)16-17-12)15-9-6-4-8(5-7-9)14(19)20/h8-9H,1-7H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyCNNHTSRKLFVENU-UHFFFAOYSA-N
XLogP1.27
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 162632727) is 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1n[nH]c2c1CCC2.
What is the InChIKey of 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is CNNHTSRKLFVENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(12-10-2-1-3-11(10)16-17-12)15-9-6-4-8(5-7-9)14(19)20/h8-9H,1-7H2,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid?
4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162632727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).