N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide

C15H13N3OS — CID 5298288

IUPACN-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccn(-c2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C15H13N3OS/c1-11-8-9-18(17-11)13-6-4-12(5-7-13)16-15(19)14-3-2-10-20-14/h2-10H,1H3,(H,16,19)
InChIKeyPIEHEWSLPWZSNY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.49
Rot. Bonds3

About N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide

N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 5298288) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID5298288
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccn(-c2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C15H13N3OS/c1-11-8-9-18(17-11)13-6-4-12(5-7-13)16-15(19)14-3-2-10-20-14/h2-10H,1H3,(H,16,19)
InChIKeyPIEHEWSLPWZSNY-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}thiophene-2-carboxamide
CID 2809248
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 5215341
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
N-hydroxy-5-(1-(2-oxo-2-(phenylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 10246764
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137189869
N'-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 9583897

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide (CID 5298288) is N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide is Cc1ccn(-c2ccc(NC(=O)c3cccs3)cc2)n1.
What is the InChIKey of N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is PIEHEWSLPWZSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-11-8-9-18(17-11)13-6-4-12(5-7-13)16-15(19)14-3-2-10-20-14/h2-10H,1H3,(H,16,19).
What are the key properties of N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide?
N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 5298288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).