4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide

C15H18ClN3O3S — CID 14460853

IUPAC4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1Cl
InChIInChI=1S/C15H18ClN3O3S/c1-4-12-13(16)14(19(2)18-12)15(20)17-9-10-5-7-11(8-6-10)23(3,21)22/h5-8H,4,9H2,1-3H3,(H,17,20)
InChIKeyAETNQAFJUMHCNG-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.97
Rot. Bonds5

About 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide

4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 14460853) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID14460853
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1Cl
InChIInChI=1S/C15H18ClN3O3S/c1-4-12-13(16)14(19(2)18-12)15(20)17-9-10-5-7-11(8-6-10)23(3,21)22/h5-8H,4,9H2,1-3H3,(H,17,20)
InChIKeyAETNQAFJUMHCNG-UHFFFAOYSA-N
XLogP1.97
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide (CID 14460853) is 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is AETNQAFJUMHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-4-12-13(16)14(19(2)18-12)15(20)17-9-10-5-7-11(8-6-10)23(3,21)22/h5-8H,4,9H2,1-3H3,(H,17,20).
What are the key properties of 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide?
4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 355.85 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 14460853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).