5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

C14H23N5O2 — CID 134069108

IUPAC5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCC(=O)N1Cc2ccnn2CC(C(=O)NCCN(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-11(20)18-8-12(14(21)15-6-7-17(2)3)9-19-13(10-18)4-5-16-19/h4-5,12H,6-10H2,1-3H3,(H,15,21)
InChIKeyBDGGIMXHOGVJGU-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.46
Rot. Bonds4

About 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (PubChem CID 134069108) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
PubChem CID134069108
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCC(=O)N1Cc2ccnn2CC(C(=O)NCCN(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-11(20)18-8-12(14(21)15-6-7-17(2)3)9-19-13(10-18)4-5-16-19/h4-5,12H,6-10H2,1-3H3,(H,15,21)
InChIKeyBDGGIMXHOGVJGU-UHFFFAOYSA-N
XLogP-0.46
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(7S)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone
CID 97463423
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
(3R)-N-[2-(dimethylamino)ethyl]-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 95841054
N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113003438
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
CID 73440375
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594
[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118746052
1-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189079
N-[2-(dimethylamino)ethyl]-1-[4-(pyridin-3-ylmethylsulfanyl)benzoyl]piperidine-4-carboxamide
CID 86862340
1-[(7R)-7-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-phenoxypropan-1-one
CID 124818117

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (CID 134069108) is 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is CC(=O)N1Cc2ccnn2CC(C(=O)NCCN(C)C)C1.
What is the InChIKey of 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The InChIKey is BDGGIMXHOGVJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(20)18-8-12(14(21)15-6-7-17(2)3)9-19-13(10-18)4-5-16-19/h4-5,12H,6-10H2,1-3H3,(H,15,21).
What are the key properties of 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 134069108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).