N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide

C20H34N4O2 — CID 70776116

IUPACN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide
SMILESCCCOC(C)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2
InChIInChI=1S/C20H34N4O2/c1-3-12-26-16(2)20(25)21-14-17-13-19-15-23(10-7-11-24(19)22-17)18-8-5-4-6-9-18/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)
InChIKeyXRUQKGOXNGMNEC-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.85
Rot. Bonds7

About N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide

N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide (PubChem CID 70776116) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide
PubChem CID70776116
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide
SMILESCCCOC(C)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2
InChIInChI=1S/C20H34N4O2/c1-3-12-26-16(2)20(25)21-14-17-13-19-15-23(10-7-11-24(19)22-17)18-8-5-4-6-9-18/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)
InChIKeyXRUQKGOXNGMNEC-UHFFFAOYSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide?
The IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide (CID 70776116) is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide.
What is the SMILES notation for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide?
The canonical SMILES for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide is CCCOC(C)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2.
What is the InChIKey of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide?
The InChIKey is XRUQKGOXNGMNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-12-26-16(2)20(25)21-14-17-13-19-15-23(10-7-11-24(19)22-17)18-8-5-4-6-9-18/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25).
What are the key properties of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide?
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide has a molecular weight of 362.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide is sourced from PubChem (CID 70776116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).