N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide

C12H15N3OS — CID 4295978

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2cccs2)c1C
InChIInChI=1S/C12H15N3OS/c1-4-15-9(3)11(8(2)14-15)13-12(16)10-6-5-7-17-10/h5-7H,4H2,1-3H3,(H,13,16)
InChIKeyXKDZBWOOPGKTAH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.83
Rot. Bonds3

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 4295978) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID4295978
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2cccs2)c1C
InChIInChI=1S/C12H15N3OS/c1-4-15-9(3)11(8(2)14-15)13-12(16)10-6-5-7-17-10/h5-7H,4H2,1-3H3,(H,13,16)
InChIKeyXKDZBWOOPGKTAH-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
3-chloro-N-[3,5-di(tert-butyl)-1-methyl-1H-pyrazol-4-yl]-2-thiophenecarboxamide
CID 2811235
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
CID 5309163
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
{3,5-dimethyl-4-[(thiophen-2-ylcarbonyl)amino]-1H-pyrazol-1-yl}acetic acid
CID 1503471
N-[3,5-di(tert-butyl)-1-methyl-1H-pyrazol-4-yl]-2-thiophenecarboxamide
CID 2811226
4-bromo-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-5-ethyl-2-thiophenecarboxamide
CID 1245602
5-methyl-2-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 5214853

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide (CID 4295978) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide is CCn1nc(C)c(NC(=O)c2cccs2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is XKDZBWOOPGKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-4-15-9(3)11(8(2)14-15)13-12(16)10-6-5-7-17-10/h5-7H,4H2,1-3H3,(H,13,16).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4295978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).