N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide

C17H19N3O3S — CID 71797362

IUPACN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCOCCn1nc(CNC(=O)c2cc(C)cs2)cc1-c1ccco1
InChIInChI=1S/C17H19N3O3S/c1-12-8-16(24-11-12)17(21)18-10-13-9-14(15-4-3-6-23-15)20(19-13)5-7-22-2/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,18,21)
InChIKeyHVBRHQGKRRFTPX-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.09
Rot. Bonds7

About N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide

N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide (PubChem CID 71797362) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide
PubChem CID71797362
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCOCCn1nc(CNC(=O)c2cc(C)cs2)cc1-c1ccco1
InChIInChI=1S/C17H19N3O3S/c1-12-8-16(24-11-12)17(21)18-10-13-9-14(15-4-3-6-23-15)20(19-13)5-7-22-2/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,18,21)
InChIKeyHVBRHQGKRRFTPX-UHFFFAOYSA-N
XLogP3.09
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-furylmethyl)-2-{5-methyl-3-[(2-thienylacetyl)amino]-1H-pyrazol-1-yl}acetamide
CID 1251125
N-(2-furylmethyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3244133
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 24980541
3-ethyl-1-methyl-N-{2-[2-(3-thienyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 45165970
N-(2,6-difluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062151
N-(2-fluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062171
N-(2-chlorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062174
US9957261, Example 85
CID 118694794
3-(3-methoxyphenyl)-1-methyl-N-[(5-methyl-2-furyl)methyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3238005
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5307834

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide (CID 71797362) is N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide is COCCn1nc(CNC(=O)c2cc(C)cs2)cc1-c1ccco1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is HVBRHQGKRRFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-8-16(24-11-12)17(21)18-10-13-9-14(15-4-3-6-23-15)20(19-13)5-7-22-2/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,18,21).
What are the key properties of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide?
N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71797362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).