1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide

C16H26N6O2S — CID 70712495

IUPAC1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCCCN1CCCn2nc(CNS(=O)(=O)c3cnn(CC)c3)cc2C1
InChIInChI=1S/C16H26N6O2S/c1-3-6-20-7-5-8-22-15(12-20)9-14(19-22)10-18-25(23,24)16-11-17-21(4-2)13-16/h9,11,13,18H,3-8,10,12H2,1-2H3
InChIKeyPQOOXRDCDLZRDU-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.19
Rot. Bonds7

About 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide

1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 70712495) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide
PubChem CID70712495
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC Name1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCCCN1CCCn2nc(CNS(=O)(=O)c3cnn(CC)c3)cc2C1
InChIInChI=1S/C16H26N6O2S/c1-3-6-20-7-5-8-22-15(12-20)9-14(19-22)10-18-25(23,24)16-11-17-21(4-2)13-16/h9,11,13,18H,3-8,10,12H2,1-2H3
InChIKeyPQOOXRDCDLZRDU-UHFFFAOYSA-N
XLogP1.19
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide (CID 70712495) is 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide is CCCN1CCCn2nc(CNS(=O)(=O)c3cnn(CC)c3)cc2C1.
What is the InChIKey of 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is PQOOXRDCDLZRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-3-6-20-7-5-8-22-15(12-20)9-14(19-22)10-18-25(23,24)16-11-17-21(4-2)13-16/h9,11,13,18H,3-8,10,12H2,1-2H3.
What are the key properties of 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 366.49 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 70712495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).