3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H21N3O3 — CID 75429135

IUPAC3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)NC2C3CCC(C3)C2C(=O)O)n[nH]1
InChIInChI=1S/C15H21N3O3/c1-7(2)10-6-11(18-17-10)14(19)16-13-9-4-3-8(5-9)12(13)15(20)21/h6-9,12-13H,3-5H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyYPKRWLSOFBGIOT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.76
Rot. Bonds4

About 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 75429135) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID75429135
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)NC2C3CCC(C3)C2C(=O)O)n[nH]1
InChIInChI=1S/C15H21N3O3/c1-7(2)10-6-11(18-17-10)14(19)16-13-9-4-3-8(5-9)12(13)15(20)21/h6-9,12-13H,3-5H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyYPKRWLSOFBGIOT-UHFFFAOYSA-N
XLogP1.76
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-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 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 75429135) is 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is CC(C)c1cc(C(=O)NC2C3CCC(C3)C2C(=O)O)n[nH]1.
What is the InChIKey of 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is YPKRWLSOFBGIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-7(2)10-6-11(18-17-10)14(19)16-13-9-4-3-8(5-9)12(13)15(20)21/h6-9,12-13H,3-5H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 75429135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).