3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

C15H11ClN4O2 — CID 5343127

IUPAC3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H11ClN4O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(21)20-17-9-12-2-1-7-22-12/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKeyPMGBUGDKHFONEX-RQZCQDPDSA-N
MW314.73 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5343127) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID5343127
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H11ClN4O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(21)20-17-9-12-2-1-7-22-12/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKeyPMGBUGDKHFONEX-RQZCQDPDSA-N
XLogP3.09
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.09
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
5-(5-chlorothiophen-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6866999
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
(E)-3-cyclopropyl-N'-(furan-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6888675
(E)-3-(4-chlorophenyl)-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6866068
5-tert-Butyl-2H-pyrazole-3-carboxylic acid furan-2-ylmethylene-hydrazide
CID 5332549
N'-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344288
N'-(2-bromo-3-phenyl-2-propen-1-ylidene)-3-(2-furyl)-1H-pyrazole-5-carbohydrazide
CID 5345696
N'-[(1Z,2E)-3-(2-furyl)prop-2-enylidene]-3-(2-naphthyl)-1H-pyrazole-5-carbohydrazide
CID 6030986
N-[(4-chlorobenzylidene)amino]-5-(5-methyl-2-furyl)-1H-pyrazole-3-carboxamide
CID 6862391
5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6862097
N'-{(E)-[5-(3-chlorophenyl)furan-2-yl]methylidene}-3-methyl-1H-pyrazole-5-carbohydrazide
CID 6870823

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 5343127) is 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is PMGBUGDKHFONEX-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(21)20-17-9-12-2-1-7-22-12/h1-9H,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5343127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).