(10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine

C18H18ClN3 — CID 10244974

IUPAC(10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine
SMILESCN1CCc2cc(Cl)c3[nH]ncc3c2[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H18ClN3/c1-22-8-7-13-9-16(19)18-14(10-20-21-18)17(13)15(11-22)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8,11H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyLVAOPAQJSCZOOM-OAHLLOKOSA-N
MW311.82 g/mol
LogP3.84
Rot. Bonds1

About (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine

(10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine (PubChem CID 10244974) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine.

Molecular Properties

Compound Name(10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine
PubChem CID10244974
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name(10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine
SMILESCN1CCc2cc(Cl)c3[nH]ncc3c2[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H18ClN3/c1-22-8-7-13-9-16(19)18-14(10-20-21-18)17(13)15(11-22)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8,11H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyLVAOPAQJSCZOOM-OAHLLOKOSA-N
XLogP3.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine with MolForge

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Related Compounds

(10R)-4-chloro-10-phenyl-3,6,7,8,9,10-hexahydropyrazolo[3,4-i][3]benzazepine
CID 9971880
6-chloro-4-phenyl-1H-indazole
CID 127047863
(10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine
CID 11186417
5-Chloronaphthodiazole
CID 19847255
6-chloro-4-[(1R,2R)-2-(3-piperidin-4-ylphenyl)cyclopropyl]-1H-indazole
CID 177664285
4-Chloro-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one
CID 91188299
(7R)-4-chloro-9-(2,2,2-trifluoroethyl)-6,7,8,10-tetrahydro-3H-pyrazolo[3,4-i][2]benzazepin-7-amine
CID 140158756
5-[(E)-2-(4-chloro-2-methylphenyl)but-1-enyl]-4-fluoro-1H-indazole
CID 141327756
5-[(E)-2-[4-chloro-2-(trifluoromethyl)phenyl]but-1-enyl]-1H-indazole
CID 141327847
(6S,7S)-6-(4-chloro-2,6-difluorophenyl)-8-methyl-7-(2-methylpropyl)-3,6,7,9-tetrahydropyrazolo[5,4-h]isoquinoline
CID 141757727
(6S,7S)-6-(4-chloro-2,6-difluorophenyl)-7-(cyclopropylmethyl)-8-methyl-3,6,7,9-tetrahydropyrazolo[5,4-h]isoquinoline
CID 141757737
8-chloro-6-[5-[(4-chloro-3-fluorophenyl)methyl]cyclopenta-1,3-dien-1-yl]-3-(1H-indazol-6-yl)-3,4-dihydroquinoline
CID 146433588

Frequently Asked Questions

What is the IUPAC name of (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine?
The IUPAC name of (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine (CID 10244974) is (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine.
What is the SMILES notation for (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine?
The canonical SMILES for (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine is CN1CCc2cc(Cl)c3[nH]ncc3c2[C@@H](c2ccccc2)C1.
What is the InChIKey of (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine?
The InChIKey is LVAOPAQJSCZOOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18ClN3/c1-22-8-7-13-9-16(19)18-14(10-20-21-18)17(13)15(11-22)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8,11H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine?
(10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine has a molecular weight of 311.82 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine is sourced from PubChem (CID 10244974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).