(4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

C20H20N4O — CID 137293802

IUPAC(4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
SMILESCCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1
InChIInChI=1S/C20H20N4O/c1-3-14-8-10-15(11-9-14)20(25)24-13-16-12-21-23(2)19(16)22-17-6-4-5-7-18(17)24/h4-12,22H,3,13H2,1-2H3
InChIKeyQCDZWPOBQMYSBK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.89
Rot. Bonds2

About (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

(4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone (PubChem CID 137293802) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
PubChem CID137293802
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
SMILESCCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1
InChIInChI=1S/C20H20N4O/c1-3-14-8-10-15(11-9-14)20(25)24-13-16-12-21-23(2)19(16)22-17-6-4-5-7-18(17)24/h4-12,22H,3,13H2,1-2H3
InChIKeyQCDZWPOBQMYSBK-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone (CID 137293802) is (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone is CCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1.
What is the InChIKey of (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The InChIKey is QCDZWPOBQMYSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-14-8-10-15(11-9-14)20(25)24-13-16-12-21-23(2)19(16)22-17-6-4-5-7-18(17)24/h4-12,22H,3,13H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
(4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone is sourced from PubChem (CID 137293802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).