N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide

C12H13ClN4OS — CID 90359899

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H13ClN4OS/c1-8(19-2)12(18)15-10-7-17(16-11(10)13)9-4-3-5-14-6-9/h3-8H,1-2H3,(H,15,18)
InChIKeyKNKBUISIVBRINB-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.61
Rot. Bonds4

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide (PubChem CID 90359899) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
PubChem CID90359899
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H13ClN4OS/c1-8(19-2)12(18)15-10-7-17(16-11(10)13)9-4-3-5-14-6-9/h3-8H,1-2H3,(H,15,18)
InChIKeyKNKBUISIVBRINB-UHFFFAOYSA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-propan-2-ylsulfanylpropanamide
CID 123960951
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide
CID 129156294
4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
CID 86700603
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-methylsulfanylbutanamide
CID 69261053
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-(2-methyl-3-methylsulfanylpropanoyl)-3-methylsulfanylpropanamide
CID 90359861
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
sodium;acetic acid;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;2-methylsulfanylpropanoic acid;oxidoperoxy(oxo)borane;penta-1,3-diyne
CID 158095265
2-methyl-N-(3-propyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanamide
CID 146755863
1-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate
CID 129302974
3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499762
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylprop-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)prop-2-enamide;deuterio(fluoro)methane
CID 162174674
3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
CID 86705832

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide (CID 90359899) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide?
The InChIKey is KNKBUISIVBRINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-8(19-2)12(18)15-10-7-17(16-11(10)13)9-4-3-5-14-6-9/h3-8H,1-2H3,(H,15,18).
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide has a molecular weight of 296.78 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 90359899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).