N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide

C19H27N5OS — CID 17444408

IUPACN-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
SMILESCc1cc(C)n(-c2ccc(SC(C)C(=O)NCC3CCCCC3)nn2)n1
InChIInChI=1S/C19H27N5OS/c1-13-11-14(2)24(23-13)17-9-10-18(22-21-17)26-15(3)19(25)20-12-16-7-5-4-6-8-16/h9-11,15-16H,4-8,12H2,1-3H3,(H,20,25)
InChIKeyHVYMTNJSCKZOON-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.46
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide

N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide (PubChem CID 17444408) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
PubChem CID17444408
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC NameN-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
SMILESCc1cc(C)n(-c2ccc(SC(C)C(=O)NCC3CCCCC3)nn2)n1
InChIInChI=1S/C19H27N5OS/c1-13-11-14(2)24(23-13)17-9-10-18(22-21-17)26-15(3)19(25)20-12-16-7-5-4-6-8-16/h9-11,15-16H,4-8,12H2,1-3H3,(H,20,25)
InChIKeyHVYMTNJSCKZOON-UHFFFAOYSA-N
XLogP3.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
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N-(cyclohexylmethyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46692270
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 24600108
(2S)-N-(cyclohexylmethyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40729706
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
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1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 17453247
(2R)-N-(cyclohexylmethyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7257725
3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine
CID 121031284
N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 24600183
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 9274136

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide (CID 17444408) is N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide is Cc1cc(C)n(-c2ccc(SC(C)C(=O)NCC3CCCCC3)nn2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide?
The InChIKey is HVYMTNJSCKZOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-13-11-14(2)24(23-13)17-9-10-18(22-21-17)26-15(3)19(25)20-12-16-7-5-4-6-8-16/h9-11,15-16H,4-8,12H2,1-3H3,(H,20,25).
What are the key properties of N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide?
N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide has a molecular weight of 373.53 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide is sourced from PubChem (CID 17444408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).