2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid

C17H23N3O4 — CID 166296061

IUPAC2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCc1cn(C2CCOCC2)nc1C(=O)NC1CCC2CC21C(=O)O
InChIInChI=1S/C17H23N3O4/c1-10-9-20(12-4-6-24-7-5-12)19-14(10)15(21)18-13-3-2-11-8-17(11,13)16(22)23/h9,11-13H,2-8H2,1H3,(H,18,21)(H,22,23)
InChIKeyDVETVWKCEGKOOS-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.53
Rot. Bonds4

About 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid

2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 166296061) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID166296061
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCc1cn(C2CCOCC2)nc1C(=O)NC1CCC2CC21C(=O)O
InChIInChI=1S/C17H23N3O4/c1-10-9-20(12-4-6-24-7-5-12)19-14(10)15(21)18-13-3-2-11-8-17(11,13)16(22)23/h9,11-13H,2-8H2,1H3,(H,18,21)(H,22,23)
InChIKeyDVETVWKCEGKOOS-UHFFFAOYSA-N
XLogP1.53
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-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 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid (CID 166296061) is 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid is Cc1cn(C2CCOCC2)nc1C(=O)NC1CCC2CC21C(=O)O.
What is the InChIKey of 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is DVETVWKCEGKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-9-20(12-4-6-24-7-5-12)19-14(10)15(21)18-13-3-2-11-8-17(11,13)16(22)23/h9,11-13H,2-8H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid?
2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 166296061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).