5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine

C19H17ClN4 — CID 135496393

IUPAC5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine
SMILESCc1nn(-c2ccccc2)c2c1N=C(c1ccc(Cl)cc1)CCN2
InChIInChI=1S/C19H17ClN4/c1-13-18-19(24(23-13)16-5-3-2-4-6-16)21-12-11-17(22-18)14-7-9-15(20)10-8-14/h2-10,21H,11-12H2,1H3
InChIKeySSDWTUPZVOUZQK-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.77
Rot. Bonds2

About 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine

5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine (PubChem CID 135496393) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine
PubChem CID135496393
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC Name5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine
SMILESCc1nn(-c2ccccc2)c2c1N=C(c1ccc(Cl)cc1)CCN2
InChIInChI=1S/C19H17ClN4/c1-13-18-19(24(23-13)16-5-3-2-4-6-16)21-12-11-17(22-18)14-7-9-15(20)10-8-14/h2-10,21H,11-12H2,1H3
InChIKeySSDWTUPZVOUZQK-UHFFFAOYSA-N
XLogP4.77
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine (CID 135496393) is 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine is Cc1nn(-c2ccccc2)c2c1N=C(c1ccc(Cl)cc1)CCN2.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine?
The InChIKey is SSDWTUPZVOUZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-13-18-19(24(23-13)16-5-3-2-4-6-16)21-12-11-17(22-18)14-7-9-15(20)10-8-14/h2-10,21H,11-12H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine?
5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine has a molecular weight of 336.83 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine is sourced from PubChem (CID 135496393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).