N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C18H20N4O3 — CID 56745014

IUPACN-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)c1cccc(O)c1)C2
InChIInChI=1S/C18H20N4O3/c23-15-4-1-3-12(9-15)18(25)21-7-2-8-22-14(11-21)10-16(20-22)17(24)19-13-5-6-13/h1,3-4,9-10,13,23H,2,5-8,11H2,(H,19,24)
InChIKeyXWPYBRVDJMMMTR-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.53
Rot. Bonds3

About N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 56745014) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID56745014
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)c1cccc(O)c1)C2
InChIInChI=1S/C18H20N4O3/c23-15-4-1-3-12(9-15)18(25)21-7-2-8-22-14(11-21)10-16(20-22)17(24)19-13-5-6-13/h1,3-4,9-10,13,23H,2,5-8,11H2,(H,19,24)
InChIKeyXWPYBRVDJMMMTR-UHFFFAOYSA-N
XLogP1.53
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50968794
N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554761
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56759126
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-naphthalen-1-ylmethanone
CID 171675011

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 56745014) is N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)c1cccc(O)c1)C2.
What is the InChIKey of N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is XWPYBRVDJMMMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-15-4-1-3-12(9-15)18(25)21-7-2-8-22-14(11-21)10-16(20-22)17(24)19-13-5-6-13/h1,3-4,9-10,13,23H,2,5-8,11H2,(H,19,24).
What are the key properties of N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 56745014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).