(4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

C10H10N4O3 — CID 6740876

IUPAC(4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESC[C@H]1C(=O)NN=C1C(=O)NN=Cc1ccco1
InChIInChI=1S/C10H10N4O3/c1-6-8(12-14-9(6)15)10(16)13-11-5-7-3-2-4-17-7/h2-6H,1H3,(H,13,16)(H,14,15)/t6-/m1/s1
InChIKeyWAQFGGASBODNBJ-ZCFIWIBFSA-N
MW234.22 g/mol
LogP-0.15
Rot. Bonds3

About (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

(4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 6740876) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name(4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID6740876
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name(4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESC[C@H]1C(=O)NN=C1C(=O)NN=Cc1ccco1
InChIInChI=1S/C10H10N4O3/c1-6-8(12-14-9(6)15)10(16)13-11-5-7-3-2-4-17-7/h2-6H,1H3,(H,13,16)(H,14,15)/t6-/m1/s1
InChIKeyWAQFGGASBODNBJ-ZCFIWIBFSA-N
XLogP-0.15
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.15
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 (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 6740876) is (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is C[C@H]1C(=O)NN=C1C(=O)NN=Cc1ccco1.
What is the InChIKey of (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is WAQFGGASBODNBJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-8(12-14-9(6)15)10(16)13-11-5-7-3-2-4-17-7/h2-6H,1H3,(H,13,16)(H,14,15)/t6-/m1/s1.
What are the key properties of (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
(4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(furan-2-ylmethylideneamino)-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 6740876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).