(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol

C19H20N4O — CID 170293103

IUPAC(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)N2Cc3cnn(C)c3Nc3ccccc32)cc1
InChIInChI=1S/C19H20N4O/c1-13-7-9-14(10-8-13)19(24)23-12-15-11-20-22(2)18(15)21-16-5-3-4-6-17(16)23/h3-11,19,21,24H,12H2,1-2H3
InChIKeyUOAFFOYMJLSMKY-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.48
Rot. Bonds2

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

(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol (PubChem CID 170293103) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol
PubChem CID170293103
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)N2Cc3cnn(C)c3Nc3ccccc32)cc1
InChIInChI=1S/C19H20N4O/c1-13-7-9-14(10-8-13)19(24)23-12-15-11-20-22(2)18(15)21-16-5-3-4-6-17(16)23/h3-11,19,21,24H,12H2,1-2H3
InChIKeyUOAFFOYMJLSMKY-UHFFFAOYSA-N
XLogP3.48
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol?
The IUPAC name of (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol (CID 170293103) is (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)N2Cc3cnn(C)c3Nc3ccccc32)cc1.
What is the InChIKey of (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol?
The InChIKey is UOAFFOYMJLSMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-7-9-14(10-8-13)19(24)23-12-15-11-20-22(2)18(15)21-16-5-3-4-6-17(16)23/h3-11,19,21,24H,12H2,1-2H3.
What are the key properties of (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol?
(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol has a molecular weight of 320.40 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 170293103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).