(10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine

C19H20ClN3 — CID 11186417

IUPAC(10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine
SMILESCN1CCc2cc(Cl)c3c(cnn3C)c2[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H20ClN3/c1-22-9-8-14-10-17(20)19-15(11-21-23(19)2)18(14)16(12-22)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeyMPRPFZNLZRCDHI-MRXNPFEDSA-N
MW325.84 g/mol
LogP3.85
Rot. Bonds1

About (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine

(10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine (PubChem CID 11186417) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine.

Molecular Properties

Compound Name(10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine
PubChem CID11186417
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name(10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine
SMILESCN1CCc2cc(Cl)c3c(cnn3C)c2[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H20ClN3/c1-22-9-8-14-10-17(20)19-15(11-21-23(19)2)18(14)16(12-22)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeyMPRPFZNLZRCDHI-MRXNPFEDSA-N
XLogP3.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine?
The IUPAC name of (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine (CID 11186417) is (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine.
What is the SMILES notation for (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine?
The canonical SMILES for (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine is CN1CCc2cc(Cl)c3c(cnn3C)c2[C@@H](c2ccccc2)C1.
What is the InChIKey of (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine?
The InChIKey is MPRPFZNLZRCDHI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-22-9-8-14-10-17(20)19-15(11-21-23(19)2)18(14)16(12-22)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine?
(10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine has a molecular weight of 325.84 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-4-chloro-3,8-dimethyl-10-phenyl-6,7,9,10-tetrahydropyrazolo[3,4-i][3]benzazepine is sourced from PubChem (CID 11186417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).