5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

C15H19N5O3S — CID 118746456

IUPAC5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCS(=O)(=O)N1Cc2ccnn2CC(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)19-9-13(10-20-14(11-19)4-6-18-20)15(21)17-8-12-3-2-5-16-7-12/h2-7,13H,8-11H2,1H3,(H,17,21)
InChIKeyWOUIGRNSXPVGDI-UHFFFAOYSA-N
MW349.42 g/mol
LogP-0.01
Rot. Bonds4

About 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (PubChem CID 118746456) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound Name5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
PubChem CID118746456
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCS(=O)(=O)N1Cc2ccnn2CC(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)19-9-13(10-20-14(11-19)4-6-18-20)15(21)17-8-12-3-2-5-16-7-12/h2-7,13H,8-11H2,1H3,(H,17,21)
InChIKeyWOUIGRNSXPVGDI-UHFFFAOYSA-N
XLogP-0.01
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide with MolForge

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307455
1-[2-(Pyridin-3-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]ethan-1-one
CID 71686886
N-{2-[3-(pyridin-4-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanecarboxamide
CID 71807800
N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)pivalamide
CID 71807801
3,3-dimethyl-N-{2-[3-(pyridin-4-yl)-1H-pyrazol-1-yl]ethyl}butanamide
CID 71807803
5-acetyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118744355
N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118746698
N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118747075
N-(2-methoxyethyl)-5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118747203
N-(2-methoxyethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118747205
N-(2-pyridinylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-4-piperidinecarboxamide
CID 56900556
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 91922908

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The IUPAC name of 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (CID 118746456) is 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.
What is the SMILES notation for 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The canonical SMILES for 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is CS(=O)(=O)N1Cc2ccnn2CC(C(=O)NCc2cccnc2)C1.
What is the InChIKey of 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The InChIKey is WOUIGRNSXPVGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-24(22,23)19-9-13(10-20-14(11-19)4-6-18-20)15(21)17-8-12-3-2-5-16-7-12/h2-7,13H,8-11H2,1H3,(H,17,21).
What are the key properties of 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide has a molecular weight of 349.42 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-N-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 118746456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).