N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

C21H16N4O2 — CID 4095176

IUPACN-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1ccco1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C21H16N4O2/c26-21(25-22-14-18-7-4-12-27-18)20-13-19(23-24-20)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14H,(H,23,24)(H,25,26)
InChIKeyWNRXOSMTSYZCFH-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.10
Rot. Bonds5

About N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 4095176) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID4095176
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1ccco1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C21H16N4O2/c26-21(25-22-14-18-7-4-12-27-18)20-13-19(23-24-20)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14H,(H,23,24)(H,25,26)
InChIKeyWNRXOSMTSYZCFH-UHFFFAOYSA-N
XLogP4.10
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.10
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-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760721
3-(3,4-dimethylphenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6176577
N-(furan-2-ylmethylideneamino)-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 828981
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6877938
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1128550
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 768290
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817
2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 2048561
N-[(E)-(2-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6897161
3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135519161

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (CID 4095176) is N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is O=C(NN=Cc1ccco1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WNRXOSMTSYZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(25-22-14-18-7-4-12-27-18)20-13-19(23-24-20)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14H,(H,23,24)(H,25,26).
What are the key properties of N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4095176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).