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

C13H16N4O2 — CID 21157581

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccco1
InChIInChI=1S/C13H16N4O2/c1-8(2)10-7-11(16-15-10)13(18)17-14-9(3)12-5-4-6-19-12/h4-8H,1-3H3,(H,15,16)(H,17,18)/b14-9+
InChIKeyUKVGXSWHWMKYFJ-NTEUORMPSA-N
MW260.30 g/mol
LogP2.28
Rot. Bonds4

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

N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 21157581) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID21157581
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccco1
InChIInChI=1S/C13H16N4O2/c1-8(2)10-7-11(16-15-10)13(18)17-14-9(3)12-5-4-6-19-12/h4-8H,1-3H3,(H,15,16)(H,17,18)/b14-9+
InChIKeyUKVGXSWHWMKYFJ-NTEUORMPSA-N
XLogP2.28
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.28
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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Related Compounds

N'-(2-Furylmethylene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 6864219
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 727435
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
5-tert-amyl-N-[1-(2-furyl)ethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 9634281
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
(E)-3-cyclopropyl-N'-(furan-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6888675
5-(4-Isobutoxy-phenyl)-2H-pyrazole-3-carboxylic acid hydrazide
CID 946051
5-tert-Butyl-2H-pyrazole-3-carboxylic acid furan-2-ylmethylene-hydrazide
CID 5332549
N'-[3-(2-furyl)-1-methyl-2-propen-1-ylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5337210
N-[(E)-1-(furan-2-yl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 5396929

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 21157581) is N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is UKVGXSWHWMKYFJ-NTEUORMPSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(2)10-7-11(16-15-10)13(18)17-14-9(3)12-5-4-6-19-12/h4-8H,1-3H3,(H,15,16)(H,17,18)/b14-9+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 21157581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).