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

C12H12N4O2 — CID 6888675

IUPAC5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H12N4O2/c17-12(16-13-7-9-2-1-5-18-9)11-6-10(14-15-11)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15)(H,16,17)/b13-7+
InChIKeyVKPJUJZSHDLPGU-NTUHNPAUSA-N
MW244.25 g/mol
LogP1.64
Rot. Bonds4

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

5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6888675) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6888675
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H12N4O2/c17-12(16-13-7-9-2-1-5-18-9)11-6-10(14-15-11)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15)(H,16,17)/b13-7+
InChIKeyVKPJUJZSHDLPGU-NTUHNPAUSA-N
XLogP1.64
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6888675) is 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1ccco1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is VKPJUJZSHDLPGU-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-12(16-13-7-9-2-1-5-18-9)11-6-10(14-15-11)8-3-4-8/h1-2,5-8H,3-4H2,(H,14,15)(H,16,17)/b13-7+.
What are the key properties of 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6888675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).