N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide

C20H17N3O2S — CID 54596603

IUPACN-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1
InChIInChI=1S/C20H17N3O2S/c1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18/h3-12H,1-2H3,(H,21,24)
InChIKeyGDFGVQWRVKEDKS-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.97
Rot. Bonds4

About N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide

N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 54596603) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide
PubChem CID54596603
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1
InChIInChI=1S/C20H17N3O2S/c1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18/h3-12H,1-2H3,(H,21,24)
InChIKeyGDFGVQWRVKEDKS-UHFFFAOYSA-N
XLogP4.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 54596542
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide
CID 58487193
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide (CID 54596603) is N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(-c2cc(-c3ccco3)nn2C)cc1.
What is the InChIKey of N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is GDFGVQWRVKEDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide?
N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 54596603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).