N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide

C14H13N3O2S — CID 71797288

IUPACN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide
SMILESCn1nc(CNC(=O)c2ccsc2)cc1-c1ccco1
InChIInChI=1S/C14H13N3O2S/c1-17-12(13-3-2-5-19-13)7-11(16-17)8-15-14(18)10-4-6-20-9-10/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyKHAWIONWYOITEG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.67
Rot. Bonds4

About N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide (PubChem CID 71797288) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide
PubChem CID71797288
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide
SMILESCn1nc(CNC(=O)c2ccsc2)cc1-c1ccco1
InChIInChI=1S/C14H13N3O2S/c1-17-12(13-3-2-5-19-13)7-11(16-17)8-15-14(18)10-4-6-20-9-10/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyKHAWIONWYOITEG-UHFFFAOYSA-N
XLogP2.67
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide (CID 71797288) is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide is Cn1nc(CNC(=O)c2ccsc2)cc1-c1ccco1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide?
The InChIKey is KHAWIONWYOITEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-17-12(13-3-2-5-19-13)7-11(16-17)8-15-14(18)10-4-6-20-9-10/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide?
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 71797288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).