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

C12H14N4O2 — CID 6864219

IUPACN-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2ccco2)n[nH]1
InChIInChI=1S/C12H14N4O2/c1-8(2)10-6-11(15-14-10)12(17)16-13-7-9-4-3-5-18-9/h3-8H,1-2H3,(H,14,15)(H,16,17)/b13-7+
InChIKeyXRMAKMJMCXXXJL-NTUHNPAUSA-N
MW246.27 g/mol
LogP1.89
Rot. Bonds4

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

N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 6864219) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID6864219
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2ccco2)n[nH]1
InChIInChI=1S/C12H14N4O2/c1-8(2)10-6-11(15-14-10)12(17)16-13-7-9-4-3-5-18-9/h3-8H,1-2H3,(H,14,15)(H,16,17)/b13-7+
InChIKeyXRMAKMJMCXXXJL-NTUHNPAUSA-N
XLogP1.89
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.89
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-(5-methyl-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 6869531
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5343127
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
(E)-3-cyclopropyl-N'-(furan-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6888675
N'-[1-(2-furyl)ethylidene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 9600460
N'-(1-(2-Furyl)ethylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 21157581
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
(Z)-N'-(1-(furan-2-yl)ethylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5778138

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 6864219) is N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N/N=C/c2ccco2)n[nH]1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XRMAKMJMCXXXJL-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(2)10-6-11(15-14-10)12(17)16-13-7-9-4-3-5-18-9/h3-8H,1-2H3,(H,14,15)(H,16,17)/b13-7+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.89, 4 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]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6864219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).