N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide

C18H22N4OS — CID 121139229

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C18H22N4OS/c1-24-18-14(3-2-8-20-18)17(23)19-9-10-22-16(13-6-7-13)11-15(21-22)12-4-5-12/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,23)
InChIKeyVRHXMSCIHHQXAP-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 121139229) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID121139229
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C18H22N4OS/c1-24-18-14(3-2-8-20-18)17(23)19-9-10-22-16(13-6-7-13)11-15(21-22)12-4-5-12/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,23)
InChIKeyVRHXMSCIHHQXAP-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
CID 121139208
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121139270
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
CID 121139309
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 90588593
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 72718634
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 72718802

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 121139229) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCCn1nc(C2CC2)cc1C1CC1.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is VRHXMSCIHHQXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-24-18-14(3-2-8-20-18)17(23)19-9-10-22-16(13-6-7-13)11-15(21-22)12-4-5-12/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,23).
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 121139229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).