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

C11H12N4O2 — CID 5399764

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccco1
InChIInChI=1S/C11H12N4O2/c1-7-6-9(14-12-7)11(16)15-13-8(2)10-4-3-5-17-10/h3-6H,1-2H3,(H,12,14)(H,15,16)/b13-8+
InChIKeyRKWXXJMWTAMLTF-MDWZMJQESA-N
MW232.24 g/mol
LogP1.47
Rot. Bonds3

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

N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 5399764) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID5399764
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccco1
InChIInChI=1S/C11H12N4O2/c1-7-6-9(14-12-7)11(16)15-13-8(2)10-4-3-5-17-10/h3-6H,1-2H3,(H,12,14)(H,15,16)/b13-8+
InChIKeyRKWXXJMWTAMLTF-MDWZMJQESA-N
XLogP1.47
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.47
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-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(4-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951735
[4-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 4675740
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932
N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 6052947
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130
N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 761751
3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6380303
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 5399764) is N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C)[nH]n1)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is RKWXXJMWTAMLTF-MDWZMJQESA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-6-9(14-12-7)11(16)15-13-8(2)10-4-3-5-17-10/h3-6H,1-2H3,(H,12,14)(H,15,16)/b13-8+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.47, 3 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-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5399764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).