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

C18H15ClN4O — CID 137293861

IUPAC(4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
SMILESCn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H15ClN4O/c1-22-17-13(10-20-22)11-23(16-5-3-2-4-15(16)21-17)18(24)12-6-8-14(19)9-7-12/h2-10,21H,11H2,1H3
InChIKeyMYXMLNGWVZYQSX-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.98
Rot. Bonds1

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

(4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone (PubChem CID 137293861) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
PubChem CID137293861
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name(4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
SMILESCn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H15ClN4O/c1-22-17-13(10-20-22)11-23(16-5-3-2-4-15(16)21-17)18(24)12-6-8-14(19)9-7-12/h2-10,21H,11H2,1H3
InChIKeyMYXMLNGWVZYQSX-UHFFFAOYSA-N
XLogP3.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293802
(3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293848
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293868
(3-hydroxy-5-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 170292925
(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methanone
CID 135916069
(1-methyl-7-sulfanyloxy-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-phenylmethanone
CID 137293822
N-[[2-chloro-4-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]propanamide
CID 135736032
4-(2-aminoethyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide
CID 135532918
[4-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-iminoethoxy]phenyl]-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137200365
CID 172735905
CID 172735905
4-(cyclopropylmethyl)-N-[[2-fluoro-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide
CID 135475348
(2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate
CID 162070934

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone (CID 137293861) is (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone is Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The InChIKey is MYXMLNGWVZYQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-22-17-13(10-20-22)11-23(16-5-3-2-4-15(16)21-17)18(24)12-6-8-14(19)9-7-12/h2-10,21H,11H2,1H3.
What are the key properties of (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
(4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone has a molecular weight of 338.80 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone is sourced from PubChem (CID 137293861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).