3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

C20H29N5O — CID 138998247

IUPAC3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCCCc1cc(NC(=O)N2Cc3ccccc3N(C)CC2CC)n(C)n1
InChIInChI=1S/C20H29N5O/c1-5-9-16-12-19(24(4)22-16)21-20(26)25-13-15-10-7-8-11-18(15)23(3)14-17(25)6-2/h7-8,10-12,17H,5-6,9,13-14H2,1-4H3,(H,21,26)
InChIKeyFFFZMKKRWIVOKU-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.64
Rot. Bonds4

About 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (PubChem CID 138998247) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
PubChem CID138998247
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCCCc1cc(NC(=O)N2Cc3ccccc3N(C)CC2CC)n(C)n1
InChIInChI=1S/C20H29N5O/c1-5-9-16-12-19(24(4)22-16)21-20(26)25-13-15-10-7-8-11-18(15)23(3)14-17(25)6-2/h7-8,10-12,17H,5-6,9,13-14H2,1-4H3,(H,21,26)
InChIKeyFFFZMKKRWIVOKU-UHFFFAOYSA-N
XLogP3.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 139013057
N-[6-(dimethylamino)-2-pyridinyl]-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 167961614
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,2-oxazol-3-yl)methanone
CID 71921917
1-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 97027113
3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 126795905
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
CID 71921913
N-[2-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]-N-methylethanesulfonamide
CID 96537682
3-[2-(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2-oxoethyl]-5-methyl-1,3,4-oxadiazol-2-one
CID 146108856
[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 96537687
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(oxolan-2-yl)methanone
CID 71972375
[5-(aminomethyl)furan-2-yl]-[(3R)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone
CID 97325252
4-(1,3-benzothiazol-2-yl)-1-[(3S)-3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]butan-1-one
CID 96537684

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (CID 138998247) is 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is CCCc1cc(NC(=O)N2Cc3ccccc3N(C)CC2CC)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The InChIKey is FFFZMKKRWIVOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-5-9-16-12-19(24(4)22-16)21-20(26)25-13-15-10-7-8-11-18(15)23(3)14-17(25)6-2/h7-8,10-12,17H,5-6,9,13-14H2,1-4H3,(H,21,26).
What are the key properties of 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(1-methyl-3-propylpyrazol-5-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 138998247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).