N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

C17H17N3OS — CID 118716531

IUPACN-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc(-c3cnn(C)c3)s2)c1
InChIInChI=1S/C17H17N3OS/c1-12-5-4-6-14(9-12)20(3)17(21)16-8-7-15(22-16)13-10-18-19(2)11-13/h4-11H,1-3H3
InChIKeyMWGLZYQJVWWYDO-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.73
Rot. Bonds3

About N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 118716531) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID118716531
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc(-c3cnn(C)c3)s2)c1
InChIInChI=1S/C17H17N3OS/c1-12-5-4-6-14(9-12)20(3)17(21)16-8-7-15(22-16)13-10-18-19(2)11-13/h4-11H,1-3H3
InChIKeyMWGLZYQJVWWYDO-UHFFFAOYSA-N
XLogP3.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (CID 118716531) is N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is Cc1cccc(N(C)C(=O)c2ccc(-c3cnn(C)c3)s2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is MWGLZYQJVWWYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-5-4-6-14(9-12)20(3)17(21)16-8-7-15(22-16)13-10-18-19(2)11-13/h4-11H,1-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118716531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).