1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide

C13H15N3OS — CID 5215341

IUPAC1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccccc2SC)n1
InChIInChI=1S/C13H15N3OS/c1-3-16-9-8-11(15-16)13(17)14-10-6-4-5-7-12(10)18-2/h4-9H,3H2,1-2H3,(H,14,17)
InChIKeyGUOULBGJUKMEJG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.88
Rot. Bonds4

About 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide

1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide (PubChem CID 5215341) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
PubChem CID5215341
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccccc2SC)n1
InChIInChI=1S/C13H15N3OS/c1-3-16-9-8-11(15-16)13(17)14-10-6-4-5-7-12(10)18-2/h4-9H,3H2,1-2H3,(H,14,17)
InChIKeyGUOULBGJUKMEJG-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
N-[4-(acetylamino)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 747516
N-{4-[acetyl(methyl)amino]phenyl}-1-ethyl-1H-pyrazole-3-carboxamide
CID 3238912
1-ethyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 25855841
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
4-bromo-1-ethyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 973638
4-chloro-1-methyl-N-[3-(methylthio)phenyl]-1H-pyrazole-5-carboxamide
CID 2216785
4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide
CID 660362
N-(2,4-difluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 1509154
1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 6467947
(E)-1-ethyl-N-(4-(phenyldiazenyl)phenyl)-1H-pyrazole-5-carboxamide
CID 42111304
N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide
CID 47044363

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide (CID 5215341) is 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccccc2SC)n1.
What is the InChIKey of 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide?
The InChIKey is GUOULBGJUKMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-16-9-8-11(15-16)13(17)14-10-6-4-5-7-12(10)18-2/h4-9H,3H2,1-2H3,(H,14,17).
What are the key properties of 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide?
1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 5215341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).