N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C13H11N3O2S — CID 19509106

IUPACN-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C13H11N3O2S/c17-13(14-8-9-3-1-5-18-9)11-7-10(15-16-11)12-4-2-6-19-12/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyGJMKPLFDIPKLPT-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.66
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19509106) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID19509106
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C13H11N3O2S/c17-13(14-8-9-3-1-5-18-9)11-7-10(15-16-11)12-4-2-6-19-12/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyGJMKPLFDIPKLPT-UHFFFAOYSA-N
XLogP2.66
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19509106) is N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCc1ccco1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GJMKPLFDIPKLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c17-13(14-8-9-3-1-5-18-9)11-7-10(15-16-11)12-4-2-6-19-12/h1-7H,8H2,(H,14,17)(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19509106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).