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

C22H30N4O — CID 70742620

IUPACN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)cc1
InChIInChI=1S/C22H30N4O/c1-17-8-10-18(11-9-17)22(27)23-15-19-14-21-16-25(12-5-13-26(21)24-19)20-6-3-2-4-7-20/h8-11,14,20H,2-7,12-13,15-16H2,1H3,(H,23,27)
InChIKeyHCPJIJNUONQXRJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.66
Rot. Bonds4

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

N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide (PubChem CID 70742620) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide
PubChem CID70742620
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)cc1
InChIInChI=1S/C22H30N4O/c1-17-8-10-18(11-9-17)22(27)23-15-19-14-21-16-25(12-5-13-26(21)24-19)20-6-3-2-4-7-20/h8-11,14,20H,2-7,12-13,15-16H2,1H3,(H,23,27)
InChIKeyHCPJIJNUONQXRJ-UHFFFAOYSA-N
XLogP3.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide 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]-4-methylbenzamide?
The IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide (CID 70742620) is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)cc1.
What is the InChIKey of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide?
The InChIKey is HCPJIJNUONQXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-8-10-18(11-9-17)22(27)23-15-19-14-21-16-25(12-5-13-26(21)24-19)20-6-3-2-4-7-20/h8-11,14,20H,2-7,12-13,15-16H2,1H3,(H,23,27).
What are the key properties of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide?
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]-4-methylbenzamide is sourced from PubChem (CID 70742620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).