N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide

C16H20N4OS — CID 69260896

IUPACN-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(c1cn(-c2cccnc2)nc1C)C1CC1
InChIInChI=1S/C16H20N4OS/c1-12-15(11-19(18-12)14-4-3-8-17-10-14)20(13-5-6-13)16(21)7-9-22-2/h3-4,8,10-11,13H,5-7,9H2,1-2H3
InChIKeyYDKUQTXBPXYWNT-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.82
Rot. Bonds6

About N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide

N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide (PubChem CID 69260896) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide
PubChem CID69260896
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(c1cn(-c2cccnc2)nc1C)C1CC1
InChIInChI=1S/C16H20N4OS/c1-12-15(11-19(18-12)14-4-3-8-17-10-14)20(13-5-6-13)16(21)7-9-22-2/h3-4,8,10-11,13H,5-7,9H2,1-2H3
InChIKeyYDKUQTXBPXYWNT-UHFFFAOYSA-N
XLogP2.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide
CID 69260848
N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
CID 90359775
1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea
CID 69260543
N-ethyl-4,4,4-trifluoro-3-hydroxy-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)butanamide
CID 86664687
1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359830
3-(2,2-difluoroethylamino)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide
CID 118945684
5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide
CID 122495870
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-(2-methyl-3-methylsulfanylpropanoyl)-3-methylsulfanylpropanamide
CID 90359861
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
CID 118022786
tert-butyl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate
CID 71519697
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-tritylsulfanylpropanamide
CID 86700562

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide (CID 69260896) is N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide is CSCCC(=O)N(c1cn(-c2cccnc2)nc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide?
The InChIKey is YDKUQTXBPXYWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-15(11-19(18-12)14-4-3-8-17-10-14)20(13-5-6-13)16(21)7-9-22-2/h3-4,8,10-11,13H,5-7,9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide?
N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 69260896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).