4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid

C18H25N3O3 — CID 167770348

IUPAC4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCCn1nc(C2CC2)cc1C(=O)NC12CCC(C(=O)O)(CC1)CC2
InChIInChI=1S/C18H25N3O3/c1-2-21-14(11-13(20-21)12-3-4-12)15(22)19-18-8-5-17(6-9-18,7-10-18)16(23)24/h11-12H,2-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyYGFSYHMKFMNWIB-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.69
Rot. Bonds5

About 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid

4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid (PubChem CID 167770348) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
PubChem CID167770348
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCCn1nc(C2CC2)cc1C(=O)NC12CCC(C(=O)O)(CC1)CC2
InChIInChI=1S/C18H25N3O3/c1-2-21-14(11-13(20-21)12-3-4-12)15(22)19-18-8-5-17(6-9-18,7-10-18)16(23)24/h11-12H,2-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyYGFSYHMKFMNWIB-UHFFFAOYSA-N
XLogP2.69
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-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-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The IUPAC name of 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid (CID 167770348) is 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The canonical SMILES for 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid is CCn1nc(C2CC2)cc1C(=O)NC12CCC(C(=O)O)(CC1)CC2.
What is the InChIKey of 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid?
The InChIKey is YGFSYHMKFMNWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-21-14(11-13(20-21)12-3-4-12)15(22)19-18-8-5-17(6-9-18,7-10-18)16(23)24/h11-12H,2-10H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid?
4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid is sourced from PubChem (CID 167770348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).