6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid

C10H14N2O4 — CID 167414340

IUPAC6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid
SMILESCCC1(O)CCn2nc(C(=O)O)cc2OC1
InChIInChI=1S/C10H14N2O4/c1-2-10(15)3-4-12-8(16-6-10)5-7(11-12)9(13)14/h5,15H,2-4,6H2,1H3,(H,13,14)
InChIKeyBWVPPFVZQUJQKM-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.50
Rot. Bonds2

About 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid

6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid (PubChem CID 167414340) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid
PubChem CID167414340
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid
SMILESCCC1(O)CCn2nc(C(=O)O)cc2OC1
InChIInChI=1S/C10H14N2O4/c1-2-10(15)3-4-12-8(16-6-10)5-7(11-12)9(13)14/h5,15H,2-4,6H2,1H3,(H,13,14)
InChIKeyBWVPPFVZQUJQKM-UHFFFAOYSA-N
XLogP0.50
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-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

Related Compounds

1-Methyl-3-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methoxy]pyrazole-5-carboxylic acid
CID 11369122
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-2-carboxylic acid
CID 71777853
1-methyl-5-(propan-2-yloxy)-1H-pyrazole-3-carboxylic acid
CID 91966300
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrazole-3-carboxylic acid
CID 118485023
Ethyl 6-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine-2-carboxylate
CID 153545577
Ethyl 6-(trifluoromethoxy)-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine-2-carboxylate
CID 153545598
6-(2,2,2-Trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid
CID 153545601
6-(2,2,2-Trifluoroethoxy)-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid
CID 156700265
5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
CID 166654949
5-(Difluoro(methoxy)methyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
CID 155892781
6-(Trifluoromethoxy)-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid
CID 177793119
5-(Carboxymethoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
CID 11148327

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid?
The IUPAC name of 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid (CID 167414340) is 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid?
The canonical SMILES for 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid is CCC1(O)CCn2nc(C(=O)O)cc2OC1.
What is the InChIKey of 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid?
The InChIKey is BWVPPFVZQUJQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-10(15)3-4-12-8(16-6-10)5-7(11-12)9(13)14/h5,15H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid?
6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid is sourced from PubChem (CID 167414340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).