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

C9H8N4O2 — CID 6869066

IUPACN-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1ccn[nH]1
InChIInChI=1S/C9H8N4O2/c14-9(8-3-4-10-12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H,10,12)(H,13,14)/b11-6+
InChIKeyFSXZXXXMFAXQTH-IZZDOVSWSA-N
MW204.19 g/mol
LogP0.77
Rot. Bonds3

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

N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6869066) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6869066
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1ccn[nH]1
InChIInChI=1S/C9H8N4O2/c14-9(8-3-4-10-12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H,10,12)(H,13,14)/b11-6+
InChIKeyFSXZXXXMFAXQTH-IZZDOVSWSA-N
XLogP0.77
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.77
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 N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 6869066) is N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccco1)c1ccn[nH]1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is FSXZXXXMFAXQTH-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9(8-3-4-10-12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H,10,12)(H,13,14)/b11-6+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6869066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).