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

C15H19ClN4OS — CID 129156294

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)SC)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H19ClN4OS/c1-4-8-19(15(21)11(2)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyKNUWVSPNOORRDH-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.42
Rot. Bonds6

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

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide (PubChem CID 129156294) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide
PubChem CID129156294
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)SC)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H19ClN4OS/c1-4-8-19(15(21)11(2)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyKNUWVSPNOORRDH-UHFFFAOYSA-N
XLogP3.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-methyl-3-methylsulfanylbutanamide
CID 69261053
2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-(2-methyl-3-methylsulfanylpropanoyl)amino]ethyl acetate
CID 67500537
2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide
CID 69260729
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[dimethylcarbamoyl(methyl)amino]-N-ethylpropanamide
CID 118023159
[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-propylcarbamic acid
CID 118023775
1-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate
CID 129302974
S-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-methyl-1-oxopentan-3-yl] carbamothioate
CID 118023858
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-phenylsulfanylprop-2-enamide
CID 123903627
N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide
CID 118023677
(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-(2-hydroxy-3,3-dimethylbutyl)carbamic acid
CID 118897497

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide (CID 129156294) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide is CCCN(C(=O)C(C)SC)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide?
The InChIKey is KNUWVSPNOORRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-4-8-19(15(21)11(2)22-3)13-10-20(18-14(13)16)12-6-5-7-17-9-12/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide has a molecular weight of 338.86 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 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-methylsulfanyl-N-propylpropanamide is sourced from PubChem (CID 129156294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).