2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide

C16H21N3OS — CID 131946446

IUPAC2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCCCSc1ccc(NC(=O)c2cc(C)nn2CC)cc1
InChIInChI=1S/C16H21N3OS/c1-4-10-21-14-8-6-13(7-9-14)17-16(20)15-11-12(3)18-19(15)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyVMGUCTMWBALUFI-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.97
Rot. Bonds6

About 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide

2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide (PubChem CID 131946446) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
PubChem CID131946446
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCCCSc1ccc(NC(=O)c2cc(C)nn2CC)cc1
InChIInChI=1S/C16H21N3OS/c1-4-10-21-14-8-6-13(7-9-14)17-16(20)15-11-12(3)18-19(15)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyVMGUCTMWBALUFI-UHFFFAOYSA-N
XLogP3.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 77113127
N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 113278409
2-ethyl-N-(3-fluoro-4-methylsulfonylphenyl)-5-methylpyrazole-3-carboxamide
CID 71999243
2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 136546905
N-(3-carbamothioyl-4-fluorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66129104
N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide
CID 45284668
5-bromo-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 66126977
2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 86610375
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
2-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 113236961
N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 81027249

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide (CID 131946446) is 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide is CCCSc1ccc(NC(=O)c2cc(C)nn2CC)cc1.
What is the InChIKey of 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide?
The InChIKey is VMGUCTMWBALUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-10-21-14-8-6-13(7-9-14)17-16(20)15-11-12(3)18-19(15)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 131946446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).