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

C19H18N4O2 — CID 137293848

IUPAC(3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
SMILESCOc1cccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)c1
InChIInChI=1S/C19H18N4O2/c1-22-18-14(11-20-22)12-23(17-9-4-3-8-16(17)21-18)19(24)13-6-5-7-15(10-13)25-2/h3-11,21H,12H2,1-2H3
InChIKeyJDZHDFLDGQNFOE-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds2

About (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

(3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone (PubChem CID 137293848) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
PubChem CID137293848
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
SMILESCOc1cccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)c1
InChIInChI=1S/C19H18N4O2/c1-22-18-14(11-20-22)12-23(17-9-4-3-8-16(17)21-18)19(24)13-6-5-7-15(10-13)25-2/h3-11,21H,12H2,1-2H3
InChIKeyJDZHDFLDGQNFOE-UHFFFAOYSA-N
XLogP3.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-5-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 170292925
(4-chlorophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293861
(4-ethylphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293802
(1-methyl-7-sulfanyloxy-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-phenylmethanone
CID 137293822
(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methanone
CID 135916069
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
CID 137293868
4-(1,8-dimethyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)-2-methylbenzonitrile
CID 135736040
CID 172735905
CID 172735905
2-[4-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoyl]piperazin-1-yl]ethyl benzoate
CID 135475402
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
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
CID 156588583
CID 156588583

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone (CID 137293848) is (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone is COc1cccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)c1.
What is the InChIKey of (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The InChIKey is JDZHDFLDGQNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-22-18-14(11-20-22)12-23(17-9-4-3-8-16(17)21-18)19(24)13-6-5-7-15(10-13)25-2/h3-11,21H,12H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
(3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone is sourced from PubChem (CID 137293848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).