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

C16H14N4O3 — CID 760721

IUPACN-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NN=Cc3ccco3)[nH]n2)cc1
InChIInChI=1S/C16H14N4O3/c1-22-12-6-4-11(5-7-12)14-9-15(19-18-14)16(21)20-17-10-13-3-2-8-23-13/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyKCPFXZXDYAGBKI-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.44
Rot. Bonds5

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

N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 760721) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID760721
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NN=Cc3ccco3)[nH]n2)cc1
InChIInChI=1S/C16H14N4O3/c1-22-12-6-4-11(5-7-12)14-9-15(19-18-14)16(21)20-17-10-13-3-2-8-23-13/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyKCPFXZXDYAGBKI-UHFFFAOYSA-N
XLogP2.44
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 4095176
3-(3,4-dimethylphenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6176577
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6877938
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817
3-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5412743
3-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2048431
N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890815
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6881094
3-(4-ethylphenyl)-N-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 702649
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890693
N-(furan-2-ylmethylideneamino)-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 828981

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 760721) is N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NN=Cc3ccco3)[nH]n2)cc1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KCPFXZXDYAGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-22-12-6-4-11(5-7-12)14-9-15(19-18-14)16(21)20-17-10-13-3-2-8-23-13/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 760721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).