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

C18H22N4O4 — CID 135097153

IUPAC7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCCOc1ccccc1CNC(=O)c1cc2n(n1)CC(O)CNC2=O
InChIInChI=1S/C18H22N4O4/c1-2-7-26-16-6-4-3-5-12(16)9-19-17(24)14-8-15-18(25)20-10-13(23)11-22(15)21-14/h3-6,8,13,23H,2,7,9-11H2,1H3,(H,19,24)(H,20,25)
InChIKeyMCCFLXVMRLQZLG-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.71
Rot. Bonds6

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

7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 135097153) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID135097153
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCCOc1ccccc1CNC(=O)c1cc2n(n1)CC(O)CNC2=O
InChIInChI=1S/C18H22N4O4/c1-2-7-26-16-6-4-3-5-12(16)9-19-17(24)14-8-15-18(25)20-10-13(23)11-22(15)21-14/h3-6,8,13,23H,2,7,9-11H2,1H3,(H,19,24)(H,20,25)
InChIKeyMCCFLXVMRLQZLG-UHFFFAOYSA-N
XLogP0.71
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 135097153) is 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CCCOc1ccccc1CNC(=O)c1cc2n(n1)CC(O)CNC2=O.
What is the InChIKey of 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is MCCFLXVMRLQZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-2-7-26-16-6-4-3-5-12(16)9-19-17(24)14-8-15-18(25)20-10-13(23)11-22(15)21-14/h3-6,8,13,23H,2,7,9-11H2,1H3,(H,19,24)(H,20,25).
What are the key properties of 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 135097153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).