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

C21H28N4O — CID 70785676

IUPACN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide
SMILESO=C(NCc1cc2n(n1)CCCN(C1CCCCC1)C2)c1ccccc1
InChIInChI=1S/C21H28N4O/c26-21(17-8-3-1-4-9-17)22-15-18-14-20-16-24(12-7-13-25(20)23-18)19-10-5-2-6-11-19/h1,3-4,8-9,14,19H,2,5-7,10-13,15-16H2,(H,22,26)
InChIKeyDGZMIDYJLPLDCJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.35
Rot. Bonds4

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

N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide (PubChem CID 70785676) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide
PubChem CID70785676
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide
SMILESO=C(NCc1cc2n(n1)CCCN(C1CCCCC1)C2)c1ccccc1
InChIInChI=1S/C21H28N4O/c26-21(17-8-3-1-4-9-17)22-15-18-14-20-16-24(12-7-13-25(20)23-18)19-10-5-2-6-11-19/h1,3-4,8-9,14,19H,2,5-7,10-13,15-16H2,(H,22,26)
InChIKeyDGZMIDYJLPLDCJ-UHFFFAOYSA-N
XLogP3.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]benzamide?
The IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide (CID 70785676) is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide is O=C(NCc1cc2n(n1)CCCN(C1CCCCC1)C2)c1ccccc1.
What is the InChIKey of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide?
The InChIKey is DGZMIDYJLPLDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(17-8-3-1-4-9-17)22-15-18-14-20-16-24(12-7-13-25(20)23-18)19-10-5-2-6-11-19/h1,3-4,8-9,14,19H,2,5-7,10-13,15-16H2,(H,22,26).
What are the key properties of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide?
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.35, 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]benzamide is sourced from PubChem (CID 70785676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).