N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C13H10N4O2S — CID 6862112

IUPACN-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C13H10N4O2S/c18-13(17-14-8-9-3-1-5-19-9)11-7-10(15-16-11)12-4-2-6-20-12/h1-8H,(H,15,16)(H,17,18)/b14-8+
InChIKeyLXZOVTIGWKXXDN-RIYZIHGNSA-N
MW286.32 g/mol
LogP2.50
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 6862112) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID6862112
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C13H10N4O2S/c18-13(17-14-8-9-3-1-5-19-9)11-7-10(15-16-11)12-4-2-6-20-12/h1-8H,(H,15,16)(H,17,18)/b14-8+
InChIKeyLXZOVTIGWKXXDN-RIYZIHGNSA-N
XLogP2.50
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 6862112) is N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1ccco1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is LXZOVTIGWKXXDN-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-13(17-14-8-9-3-1-5-19-9)11-7-10(15-16-11)12-4-2-6-20-12/h1-8H,(H,15,16)(H,17,18)/b14-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).