3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine

C19H18N4 — CID 135513864

IUPAC3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine
SMILESCc1nn(-c2ccccc2)c2c1N=C(c1ccccc1)CCN2
InChIInChI=1S/C19H18N4/c1-14-18-19(23(22-14)16-10-6-3-7-11-16)20-13-12-17(21-18)15-8-4-2-5-9-15/h2-11,20H,12-13H2,1H3
InChIKeyYKPNPRVGKCIAGO-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.12
Rot. Bonds2

About 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine

3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine (PubChem CID 135513864) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine.

Molecular Properties

Compound Name3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine
PubChem CID135513864
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine
SMILESCc1nn(-c2ccccc2)c2c1N=C(c1ccccc1)CCN2
InChIInChI=1S/C19H18N4/c1-14-18-19(23(22-14)16-10-6-3-7-11-16)20-13-12-17(21-18)15-8-4-2-5-9-15/h2-11,20H,12-13H2,1H3
InChIKeyYKPNPRVGKCIAGO-UHFFFAOYSA-N
XLogP4.12
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine?
The IUPAC name of 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine (CID 135513864) is 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine.
What is the SMILES notation for 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine?
The canonical SMILES for 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine is Cc1nn(-c2ccccc2)c2c1N=C(c1ccccc1)CCN2.
What is the InChIKey of 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine?
The InChIKey is YKPNPRVGKCIAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-14-18-19(23(22-14)16-10-6-3-7-11-16)20-13-12-17(21-18)15-8-4-2-5-9-15/h2-11,20H,12-13H2,1H3.
What are the key properties of 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine?
3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine has a molecular weight of 302.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diphenyl-7,8-dihydro-6H-pyrazolo[4,5-b][1,4]diazepine is sourced from PubChem (CID 135513864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).