N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide

C12H15N3OS — CID 100815583

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCCn1nc(C)cc1CNC(=O)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-3-15-10(7-9(2)14-15)8-13-12(16)11-5-4-6-17-11/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyXVFNYYXDGSOPCA-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.20
Rot. Bonds4

About N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide

N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 100815583) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID100815583
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCCn1nc(C)cc1CNC(=O)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-3-15-10(7-9(2)14-15)8-13-12(16)11-5-4-6-17-11/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyXVFNYYXDGSOPCA-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide
CID 100640549
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389
N-benzylthiophene-2-carboxamide
CID 574227
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 75484362
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-carboxamide
CID 50947543
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122318073
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 46263459
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide (CID 100815583) is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide is CCn1nc(C)cc1CNC(=O)c1cccs1.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XVFNYYXDGSOPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-15-10(7-9(2)14-15)8-13-12(16)11-5-4-6-17-11/h4-7H,3,8H2,1-2H3,(H,13,16).
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 100815583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).