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

C16H26N4O3S — CID 131694538

IUPACN-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCn2nccc2CN1C(=O)CC1CCCC1
InChIInChI=1S/C16H26N4O3S/c1-24(22,23)18-11-14-7-9-20-15(6-8-17-20)12-19(14)16(21)10-13-4-2-3-5-13/h6,8,13-14,18H,2-5,7,9-12H2,1H3
InChIKeyAFMBILNNZGDLSH-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.11
Rot. Bonds5

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

N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide (PubChem CID 131694538) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide
PubChem CID131694538
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCn2nccc2CN1C(=O)CC1CCCC1
InChIInChI=1S/C16H26N4O3S/c1-24(22,23)18-11-14-7-9-20-15(6-8-17-20)12-19(14)16(21)10-13-4-2-3-5-13/h6,8,13-14,18H,2-5,7,9-12H2,1H3
InChIKeyAFMBILNNZGDLSH-UHFFFAOYSA-N
XLogP1.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide (CID 131694538) is N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCn2nccc2CN1C(=O)CC1CCCC1.
What is the InChIKey of N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide?
The InChIKey is AFMBILNNZGDLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-24(22,23)18-11-14-7-9-20-15(6-8-17-20)12-19(14)16(21)10-13-4-2-3-5-13/h6,8,13-14,18H,2-5,7,9-12H2,1H3.
What are the key properties of N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide?
N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyclopentylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131694538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).