4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide

C12H15N3OS — CID 113339601

IUPAC4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cn[nH]c2)sc1C
InChIInChI=1S/C12H15N3OS/c1-7-4-11(17-9(7)3)12(16)15-8(2)10-5-13-14-6-10/h4-6,8H,1-3H3,(H,13,14)(H,15,16)
InChIKeyDHQXGUSQXILNHV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.58
Rot. Bonds3

About 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide

4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 113339601) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID113339601
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cn[nH]c2)sc1C
InChIInChI=1S/C12H15N3OS/c1-7-4-11(17-9(7)3)12(16)15-8(2)10-5-13-14-6-10/h4-6,8H,1-3H3,(H,13,14)(H,15,16)
InChIKeyDHQXGUSQXILNHV-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 103856618
N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 31495830
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
N-[1-(1H-pyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 103856243
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
2-(1-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114158941
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855919
(E)-3-[5-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 106217899
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide (CID 113339601) is 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide is Cc1cc(C(=O)NC(C)c2cn[nH]c2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is DHQXGUSQXILNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-4-11(17-9(7)3)12(16)15-8(2)10-5-13-14-6-10/h4-6,8H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113339601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).