1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine

C15H18N4 — CID 12751409

IUPAC1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
SMILESCc1nn(C)c2c1C(c1ccccc1)=NCCN2C
InChIInChI=1S/C15H18N4/c1-11-13-14(12-7-5-4-6-8-12)16-9-10-18(2)15(13)19(3)17-11/h4-8H,9-10H2,1-3H3
InChIKeyVWHABQKGJOLOFE-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.02
Rot. Bonds1

About 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine

1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine (PubChem CID 12751409) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine.

Molecular Properties

Compound Name1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
PubChem CID12751409
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
SMILESCc1nn(C)c2c1C(c1ccccc1)=NCCN2C
InChIInChI=1S/C15H18N4/c1-11-13-14(12-7-5-4-6-8-12)16-9-10-18(2)15(13)19(3)17-11/h4-8H,9-10H2,1-3H3
InChIKeyVWHABQKGJOLOFE-UHFFFAOYSA-N
XLogP2.02
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine?
The IUPAC name of 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine (CID 12751409) is 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine.
What is the SMILES notation for 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine?
The canonical SMILES for 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine is Cc1nn(C)c2c1C(c1ccccc1)=NCCN2C.
What is the InChIKey of 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine?
The InChIKey is VWHABQKGJOLOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-13-14(12-7-5-4-6-8-12)16-9-10-18(2)15(13)19(3)17-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine?
1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine has a molecular weight of 254.34 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine is sourced from PubChem (CID 12751409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).