2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide

C14H16ClN3OS — CID 19394269

IUPAC2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide
SMILESCCn1ncc(NC(=O)c2cc(SC)ccc2Cl)c1C
InChIInChI=1S/C14H16ClN3OS/c1-4-18-9(2)13(8-16-18)17-14(19)11-7-10(20-3)5-6-12(11)15/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyKXXMGDRMDHIEKN-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.84
Rot. Bonds4

About 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide

2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide (PubChem CID 19394269) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide
PubChem CID19394269
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide
SMILESCCn1ncc(NC(=O)c2cc(SC)ccc2Cl)c1C
InChIInChI=1S/C14H16ClN3OS/c1-4-18-9(2)13(8-16-18)17-14(19)11-7-10(20-3)5-6-12(11)15/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyKXXMGDRMDHIEKN-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406013
N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide
CID 19394235
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398356
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide
CID 51166452
2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide
CID 2527802
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 19262605
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
N-[2-(bromomethyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 114309537
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19263448
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
2-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-5-methylsulfanylbenzamide
CID 19410939
2-[4-[(2-chloro-5-methylsulfanylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide (CID 19394269) is 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide is CCn1ncc(NC(=O)c2cc(SC)ccc2Cl)c1C.
What is the InChIKey of 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide?
The InChIKey is KXXMGDRMDHIEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-4-18-9(2)13(8-16-18)17-14(19)11-7-10(20-3)5-6-12(11)15/h5-8H,4H2,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide?
2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide has a molecular weight of 309.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 19394269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).