5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide

C12H15N3OS — CID 30698931

IUPAC5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H15N3OS/c1-7-5-6-10(17-7)12(16)13-11-8(2)14-15(4)9(11)3/h5-6H,1-4H3,(H,13,16)
InChIKeyYFPUHKRFEMMTMH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.66
Rot. Bonds2

About 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide

5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 30698931) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID30698931
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H15N3OS/c1-7-5-6-10(17-7)12(16)13-11-8(2)14-15(4)9(11)3/h5-6H,1-4H3,(H,13,16)
InChIKeyYFPUHKRFEMMTMH-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 61113003
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
1-(5-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105111587
5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 56791077
3-bromo-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 5166739
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide
CID 39853695
2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 3773288
4-bromo-1,5-dimethyl-N-[1-[4-[(5-methylthiophene-2-carbonyl)amino]phenyl]ethylideneamino]pyrazole-3-carboxamide
CID 4218595
1-benzyl-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 24560325
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-acetylthiophene-2-carboxylate
CID 18123295
4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 692973
6-bromo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 113343278

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide (CID 30698931) is 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2c(C)nn(C)c2C)s1.
What is the InChIKey of 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is YFPUHKRFEMMTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-5-6-10(17-7)12(16)13-11-8(2)14-15(4)9(11)3/h5-6H,1-4H3,(H,13,16).
What are the key properties of 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide?
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 30698931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).