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

C19H32N4OS — CID 70741712

IUPACN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2
InChIInChI=1S/C19H32N4OS/c1-15(2)25-14-19(24)20-12-16-11-18-13-22(9-6-10-23(18)21-16)17-7-4-3-5-8-17/h11,15,17H,3-10,12-14H2,1-2H3,(H,20,24)
InChIKeyOKMKLVITZAWYRU-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.18
Rot. Bonds6

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

N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 70741712) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide
PubChem CID70741712
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2
InChIInChI=1S/C19H32N4OS/c1-15(2)25-14-19(24)20-12-16-11-18-13-22(9-6-10-23(18)21-16)17-7-4-3-5-8-17/h11,15,17H,3-10,12-14H2,1-2H3,(H,20,24)
InChIKeyOKMKLVITZAWYRU-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide (CID 70741712) is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=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-propan-2-ylsulfanylacetamide?
The InChIKey is OKMKLVITZAWYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-15(2)25-14-19(24)20-12-16-11-18-13-22(9-6-10-23(18)21-16)17-7-4-3-5-8-17/h11,15,17H,3-10,12-14H2,1-2H3,(H,20,24).
What are the key properties of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide?
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 364.56 g/mol, XLogP of 3.18, 6 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-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 70741712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).