5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide

C16H16N4OS — CID 75385201

IUPAC5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
SMILESCc1ccnn1-c1cccc(NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C16H16N4OS/c1-11-5-6-19-20(11)14-4-2-3-13(8-14)18-9-15-7-12(10-22-15)16(17)21/h2-8,10,18H,9H2,1H3,(H2,17,21)
InChIKeyMQCBCYLQARVCDU-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.95
Rot. Bonds5

About 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide

5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide (PubChem CID 75385201) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
PubChem CID75385201
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
SMILESCc1ccnn1-c1cccc(NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C16H16N4OS/c1-11-5-6-19-20(11)14-4-2-3-13(8-14)18-9-15-7-12(10-22-15)16(17)21/h2-8,10,18H,9H2,1H3,(H2,17,21)
InChIKeyMQCBCYLQARVCDU-UHFFFAOYSA-N
XLogP2.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
CID 79611666
ethyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79610647
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide
CID 115735523
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
CID 79614134

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide (CID 75385201) is 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide is Cc1ccnn1-c1cccc(NCc2cc(C(N)=O)cs2)c1.
What is the InChIKey of 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide?
The InChIKey is MQCBCYLQARVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-5-6-19-20(11)14-4-2-3-13(8-14)18-9-15-7-12(10-22-15)16(17)21/h2-8,10,18H,9H2,1H3,(H2,17,21).
What are the key properties of 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide?
5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 75385201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).