1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone

C16H19N3O2 — CID 95857400

IUPAC1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone
SMILESCOc1ccc(-n2ncc3c2CCCN(C(C)=O)C3)cc1
InChIInChI=1S/C16H19N3O2/c1-12(20)18-9-3-4-16-13(11-18)10-17-19(16)14-5-7-15(21-2)8-6-14/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyAKLLZGXPSNQPAW-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.18
Rot. Bonds2

About 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone

1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone (PubChem CID 95857400) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone
PubChem CID95857400
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone
SMILESCOc1ccc(-n2ncc3c2CCCN(C(C)=O)C3)cc1
InChIInChI=1S/C16H19N3O2/c1-12(20)18-9-3-4-16-13(11-18)10-17-19(16)14-5-7-15(21-2)8-6-14/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyAKLLZGXPSNQPAW-UHFFFAOYSA-N
XLogP2.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone 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-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid
CID 105485455
1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83886668
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361607
tert-butyl 1-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate
CID 118174402
1-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129182181
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
1-[4-[1-(4-methoxyphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 171350499
1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548944
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
1-[(1R,8R)-5-(4-methoxyphenyl)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-11-yl]ethanone
CID 98079053

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone?
The IUPAC name of 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone (CID 95857400) is 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone is COc1ccc(-n2ncc3c2CCCN(C(C)=O)C3)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone?
The InChIKey is AKLLZGXPSNQPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(20)18-9-3-4-16-13(11-18)10-17-19(16)14-5-7-15(21-2)8-6-14/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone?
1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone is sourced from PubChem (CID 95857400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).