N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide

C13H14N4O2 — CID 5337210

IUPACN-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(/C=C/c1ccco1)=N\NC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C13H14N4O2/c1-9(5-6-11-4-3-7-19-11)14-17-13(18)12-8-10(2)15-16-12/h3-8H,1-2H3,(H,15,16)(H,17,18)/b6-5+,14-9+
InChIKeyMMAYLHSBGCGUMD-SFCPEOOZSA-N
MW258.28 g/mol
LogP2.13
Rot. Bonds4

About N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 5337210) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID5337210
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(/C=C/c1ccco1)=N\NC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C13H14N4O2/c1-9(5-6-11-4-3-7-19-11)14-17-13(18)12-8-10(2)15-16-12/h3-8H,1-2H3,(H,15,16)(H,17,18)/b6-5+,14-9+
InChIKeyMMAYLHSBGCGUMD-SFCPEOOZSA-N
XLogP2.13
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.13
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-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
(E)-3-cyclopropyl-N'-(furan-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6888675
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-[(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
5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide
CID 3649375
N'-(2-furylmethylene)-3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
CID 5342745
N'-(2-Furylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6869066

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide (CID 5337210) is N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide is CC(/C=C/c1ccco1)=N\NC(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is MMAYLHSBGCGUMD-SFCPEOOZSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(5-6-11-4-3-7-19-11)14-17-13(18)12-8-10(2)15-16-12/h3-8H,1-2H3,(H,15,16)(H,17,18)/b6-5+,14-9+.
What are the key properties of N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5337210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).