N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H25N5O2S — CID 113014983

IUPACN-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C17H25N5O2S/c1-12-17(13(2)21-20-12)25(23,24)22-15-9-10-16(18-11-15)19-14-7-5-3-4-6-8-14/h9-11,14,22H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyABZPLSLIZARDKO-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.36
Rot. Bonds5

About N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113014983) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113014983
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C17H25N5O2S/c1-12-17(13(2)21-20-12)25(23,24)22-15-9-10-16(18-11-15)19-14-7-5-3-4-6-8-14/h9-11,14,22H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyABZPLSLIZARDKO-UHFFFAOYSA-N
XLogP3.36
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113039171
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113021926
N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113017714
3,5-dimethyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113017795
3,5-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113023941
N-[5-(4-tert-butylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113032967

Frequently Asked Questions

What is the IUPAC name of N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113014983) is N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC2CCCCCC2)nc1.
What is the InChIKey of N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ABZPLSLIZARDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-12-17(13(2)21-20-12)25(23,24)22-15-9-10-16(18-11-15)19-14-7-5-3-4-6-8-14/h9-11,14,22H,3-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 363.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113014983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).