2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine

C11H18N2 — CID 157380727

IUPAC2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCC(C)c1cc2n(n1)CCCCC2
InChIInChI=1S/C11H18N2/c1-9(2)11-8-10-6-4-3-5-7-13(10)12-11/h8-9H,3-7H2,1-2H3
InChIKeyAKFWXTMUKQXYTJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.73
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine

2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (PubChem CID 157380727) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
PubChem CID157380727
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
SMILESCC(C)c1cc2n(n1)CCCCC2
InChIInChI=1S/C11H18N2/c1-9(2)11-8-10-6-4-3-5-7-13(10)12-11/h8-9H,3-7H2,1-2H3
InChIKeyAKFWXTMUKQXYTJ-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine 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

4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol
CID 167041231
N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014497
N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 146148900
5-methyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]-1,2-thiazole-3-carboxamide
CID 126834606
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine
CID 53397595
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 11845421
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 82652358
6,6-dimethyl-2-propan-2-yl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 170730604
ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 177243494
2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 89402114
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine;dihydrochloride
CID 122156683
2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide
CID 138047798

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine (CID 157380727) is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is CC(C)c1cc2n(n1)CCCCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
The InChIKey is AKFWXTMUKQXYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)11-8-10-6-4-3-5-7-13(10)12-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine?
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine has a molecular weight of 178.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine is sourced from PubChem (CID 157380727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).