N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C18H18N4O4 — CID 58465633

IUPACN-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCc1c(C(=O)N2CCCn3nc(C(=O)NO)cc3C2)oc2ccccc12
InChIInChI=1S/C18H18N4O4/c1-11-13-5-2-3-6-15(13)26-16(11)18(24)21-7-4-8-22-12(10-21)9-14(19-22)17(23)20-25/h2-3,5-6,9,25H,4,7-8,10H2,1H3,(H,20,23)
InChIKeyQHARTOVGBHONGV-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.10
Rot. Bonds2

About N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 58465633) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID58465633
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCc1c(C(=O)N2CCCn3nc(C(=O)NO)cc3C2)oc2ccccc12
InChIInChI=1S/C18H18N4O4/c1-11-13-5-2-3-6-15(13)26-16(11)18(24)21-7-4-8-22-12(10-21)9-14(19-22)17(23)20-25/h2-3,5-6,9,25H,4,7-8,10H2,1H3,(H,20,23)
InChIKeyQHARTOVGBHONGV-UHFFFAOYSA-N
XLogP2.10
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
5-(5-ethenyl-4-methylthiophene-2-carbonyl)-N-hydroxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 123625580
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693071
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
N-(2-methoxyethyl)-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693135
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
[7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 131693821
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 110259313
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 58465633) is N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is Cc1c(C(=O)N2CCCn3nc(C(=O)NO)cc3C2)oc2ccccc12.
What is the InChIKey of N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is QHARTOVGBHONGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-13-5-2-3-6-15(13)26-16(11)18(24)21-7-4-8-22-12(10-21)9-14(19-22)17(23)20-25/h2-3,5-6,9,25H,4,7-8,10H2,1H3,(H,20,23).
What are the key properties of N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 58465633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).