5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide

C15H14N4OS — CID 79611377

IUPAC5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccccc2-n2cccn2)c1
InChIInChI=1S/C15H14N4OS/c16-15(20)11-8-12(21-10-11)9-17-13-4-1-2-5-14(13)19-7-3-6-18-19/h1-8,10,17H,9H2,(H2,16,20)
InChIKeyUQHGHTFXPVNCLB-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.64
Rot. Bonds5

About 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide

5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79611377) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
PubChem CID79611377
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccccc2-n2cccn2)c1
InChIInChI=1S/C15H14N4OS/c16-15(20)11-8-12(21-10-11)9-17-13-4-1-2-5-14(13)19-7-3-6-18-19/h1-8,10,17H,9H2,(H2,16,20)
InChIKeyUQHGHTFXPVNCLB-UHFFFAOYSA-N
XLogP2.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide
CID 79611960
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide
CID 115735523
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 102832685
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 75385201

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide (CID 79611377) is 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2ccccc2-n2cccn2)c1.
What is the InChIKey of 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is UQHGHTFXPVNCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-15(20)11-8-12(21-10-11)9-17-13-4-1-2-5-14(13)19-7-3-6-18-19/h1-8,10,17H,9H2,(H2,16,20).
What are the key properties of 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide?
5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).