N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C20H16N4O3 — CID 135401433

IUPACN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C20H16N4O3/c25-18-8-6-14-4-1-2-5-16(14)17(18)12-21-23-20(26)19-9-7-15(27-19)13-24-11-3-10-22-24/h1-12,25H,13H2,(H,23,26)/b21-12-
InChIKeyOAMWFGBFMJWTTG-MTJSOVHGSA-N
MW360.37 g/mol
LogP3.15
Rot. Bonds5

About N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 135401433) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID135401433
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C20H16N4O3/c25-18-8-6-14-4-1-2-5-16(14)17(18)12-21-23-20(26)19-9-7-15(27-19)13-24-11-3-10-22-24/h1-12,25H,13H2,(H,23,26)/b21-12-
InChIKeyOAMWFGBFMJWTTG-MTJSOVHGSA-N
XLogP3.15
TPSA92.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5410818
N'-(4-isopropylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5412129
3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
CID 24793128
N'-(4-pyridinylmethylene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876241
N'-(3-pyridinylmethylene)naphtho[2,1-b]furan-2-carbohydrazide
CID 9558068
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide
CID 70716884
4-fluoro-N-methyl-7-propan-2-yl-N-propyl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 176931565
7-butan-2-yl-4-fluoro-N-methyl-N-propyl-5-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176931734
7-butan-2-yl-4-fluoro-N,N-dimethyl-5-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 176931770
1-[5-[4-fluoro-7-methyl-2-(piperidine-1-carbonyl)-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 176931883
4-fluoro-N,N-dimethyl-7-propan-2-yl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 176932179
1-[5-[4-fluoro-2-(piperidine-1-carbonyl)-7-propan-2-yl-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 176932586

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 135401433) is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is OAMWFGBFMJWTTG-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-18-8-6-14-4-1-2-5-16(14)17(18)12-21-23-20(26)19-9-7-15(27-19)13-24-11-3-10-22-24/h1-12,25H,13H2,(H,23,26)/b21-12-.
What are the key properties of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 135401433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).