N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide

C15H13N3OS — CID 3958137

IUPACN-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide
SMILESCn1cc(-c2ccccc2NC(=O)c2cccs2)cn1
InChIInChI=1S/C15H13N3OS/c1-18-10-11(9-16-18)12-5-2-3-6-13(12)17-15(19)14-7-4-8-20-14/h2-10H,1H3,(H,17,19)
InChIKeyNWSQYRPIGIYFJQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.40
Rot. Bonds3

About N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide

N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide (PubChem CID 3958137) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide
PubChem CID3958137
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide
SMILESCn1cc(-c2ccccc2NC(=O)c2cccs2)cn1
InChIInChI=1S/C15H13N3OS/c1-18-10-11(9-16-18)12-5-2-3-6-13(12)17-15(19)14-7-4-8-20-14/h2-10H,1H3,(H,17,19)
InChIKeyNWSQYRPIGIYFJQ-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Penthiopyrad
CID 11388558
N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
N2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}thiophene-2-carboxamide
CID 2809248
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
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
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
Cyclohexanecarboxylic acid [4-(2-methyl-4,5-dihydro-2H-9-thia-1,2,6-triaza-cyclopenta[e]azulene-6-carbonyl)-phenyl]-amide
CID 19699114

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide (CID 3958137) is N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide is Cn1cc(-c2ccccc2NC(=O)c2cccs2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is NWSQYRPIGIYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-18-10-11(9-16-18)12-5-2-3-6-13(12)17-15(19)14-7-4-8-20-14/h2-10H,1H3,(H,17,19).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide?
N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3958137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).