(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

C21H23N5O — CID 119042010

IUPAC(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CC(C)CN(C)c3ccccc32)cnn1-c1ccccn1
InChIInChI=1S/C21H23N5O/c1-15-13-24(3)18-8-4-5-9-19(18)25(14-15)21(27)17-12-23-26(16(17)2)20-10-6-7-11-22-20/h4-12,15H,13-14H2,1-3H3
InChIKeyGCOQPFXSBGDPHL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.31
Rot. Bonds2

About (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 119042010) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID119042010
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CC(C)CN(C)c3ccccc32)cnn1-c1ccccn1
InChIInChI=1S/C21H23N5O/c1-15-13-24(3)18-8-4-5-9-19(18)25(14-15)21(27)17-12-23-26(16(17)2)20-10-6-7-11-22-20/h4-12,15H,13-14H2,1-3H3
InChIKeyGCOQPFXSBGDPHL-UHFFFAOYSA-N
XLogP3.31
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 97066486
[(3S)-1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-[5-(methoxymethyl)-1-phenylpyrazol-4-yl]methanone
CID 164638852
[(3S)-1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 164625662
[(2R,3R)-2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 124609158
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136582634
3-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-methyl-1H-pyridin-2-one
CID 102554721
(3,5-dimethylpyrazol-1-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 15944096
5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 98750515
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 119042010) is (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CC(C)CN(C)c3ccccc32)cnn1-c1ccccn1.
What is the InChIKey of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is GCOQPFXSBGDPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-13-24(3)18-8-4-5-9-19(18)25(14-15)21(27)17-12-23-26(16(17)2)20-10-6-7-11-22-20/h4-12,15H,13-14H2,1-3H3.
What are the key properties of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 119042010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).