N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide

C15H20N4O2S — CID 90614593

IUPACN-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C15H20N4O2S/c1-22(20,21)17-10-11-19-14-8-3-2-6-12(14)15(18-19)13-7-4-5-9-16-13/h4-5,7,9,17H,2-3,6,8,10-11H2,1H3
InChIKeyYKCINAQGNLBRTO-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide

N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide (PubChem CID 90614593) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
PubChem CID90614593
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C15H20N4O2S/c1-22(20,21)17-10-11-19-14-8-3-2-6-12(14)15(18-19)13-7-4-5-9-16-13/h4-5,7,9,17H,2-3,6,8,10-11H2,1H3
InChIKeyYKCINAQGNLBRTO-UHFFFAOYSA-N
XLogP1.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium
CID 78225409
N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide
CID 122181355
5-Ethenylsulfonyl-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 122181356
N-(3-pyridin-4-yl-1H-indazol-5-yl)ethanesulfonamide
CID 122181358
4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 19355820
N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309715
3-(4-Methyl-piperazin-1-ylmethyl)-pyrazolo[1,5-a]pyridine
CID 44264641
1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-methyl-3-phenyl-,monomethanesulfonate
CID 44383891
2-(4-Methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813486

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide (CID 90614593) is N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2.
What is the InChIKey of N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is YKCINAQGNLBRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-22(20,21)17-10-11-19-14-8-3-2-6-12(14)15(18-19)13-7-4-5-9-16-13/h4-5,7,9,17H,2-3,6,8,10-11H2,1H3.
What are the key properties of N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide?
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90614593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).