5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid

C17H25N3O4 — CID 134961957

IUPAC5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)cc1C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12
InChIInChI=1S/C17H25N3O4/c1-9(2)20-13(6-12(18-20)15(21)22)14-10-7-19(8-11(10)14)16(23)24-17(3,4)5/h6,9-11,14H,7-8H2,1-5H3,(H,21,22)/t10-,11+,14?
InChIKeyDFNJNLDHUBGCMN-BVUQATHDSA-N
MW335.40 g/mol
LogP2.74
Rot. Bonds3

About 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid

5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid (PubChem CID 134961957) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
PubChem CID134961957
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)cc1C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12
InChIInChI=1S/C17H25N3O4/c1-9(2)20-13(6-12(18-20)15(21)22)14-10-7-19(8-11(10)14)16(23)24-17(3,4)5/h6,9-11,14H,7-8H2,1-5H3,(H,21,22)/t10-,11+,14?
InChIKeyDFNJNLDHUBGCMN-BVUQATHDSA-N
XLogP2.74
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-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

Related Compounds

3-Cyclopropyl-1-ethyl-1H-pyrazole-5-carboxylic acid
CID 25220763
5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid
CID 54595350
5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69238120
5-cyclopropyl-1-ethyl-1H-pyrazole-3-carboxylic acid
CID 82280769
3-(1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 145875180
3-(1-((tert-butoxy)carbonyl)azetidin-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 165827928
3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid
CID 175130630
3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid
CID 175133376
tert-butyl (1S,5R)-6-(3-ethoxycarbonyl-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 134961956
CID 83816895
CID 83816895
3-[1-(3-Fluoropropoxycarbonyl)piperidin-4-yl]-1-methylpyrazole-5-carboxylic acid
CID 132389460
5-[1-(3-Fluoropropoxycarbonyl)piperidin-3-yl]-2-methylpyrazole-3-carboxylic acid
CID 136562145

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid (CID 134961957) is 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid is CC(C)n1nc(C(=O)O)cc1C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12.
What is the InChIKey of 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?
The InChIKey is DFNJNLDHUBGCMN-BVUQATHDSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-9(2)20-13(6-12(18-20)15(21)22)14-10-7-19(8-11(10)14)16(23)24-17(3,4)5/h6,9-11,14H,7-8H2,1-5H3,(H,21,22)/t10-,11+,14?.
What are the key properties of 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?
5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 134961957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).