N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

C21H16N4O2 — CID 6030986

IUPACN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C\C=C\c1ccco1)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C21H16N4O2/c26-21(25-22-11-3-7-18-8-4-12-27-18)20-14-19(23-24-20)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,23,24)(H,25,26)/b7-3+,22-11-
InChIKeyBZJYTIGGFLSTDM-ZTQUWTGOSA-N
MW356.39 g/mol
LogP4.25
Rot. Bonds5

About N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 6030986) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID6030986
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C\C=C\c1ccco1)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C21H16N4O2/c26-21(25-22-11-3-7-18-8-4-12-27-18)20-14-19(23-24-20)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,23,24)(H,25,26)/b7-3+,22-11-
InChIKeyBZJYTIGGFLSTDM-ZTQUWTGOSA-N
XLogP4.25
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 ≤ 54.25
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

3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5343127
N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344275
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
N'-[(E)-(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 9556534
N'-(2-furylmethylene)-3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
CID 5342745
N'-(2-furylmethylene)-3-(2-naphthyl)-1H-pyrazole-5-carbohydrazide
CID 5342779
5-Naphthalen-1-YL-2H-pyrazole-3-carboxylic acid furan-2-ylmethylene-hydrazide
CID 6866488
N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6866574
N'-[(E)-(3,4-Dimethoxyphenyl)methylidene]-3-(2-naphthyl)-1H-pyrazole-5-carbohydrazide
CID 6889181
N'-[(1E,2E)-3-(2-furyl)-2-methylprop-2-enylidene]-3-(2-naphthyl)-1H-pyrazole-5-carbohydrazide
CID 9626065
1-benzyl-N-[(E)-furan-2-ylmethylideneamino]-3-phenylpyrazole-5-carboxamide
CID 44581795

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 6030986) is N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is O=C(N/N=C\C=C\c1ccco1)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is BZJYTIGGFLSTDM-ZTQUWTGOSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(25-22-11-3-7-18-8-4-12-27-18)20-14-19(23-24-20)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,23,24)(H,25,26)/b7-3+,22-11-.
What are the key properties of N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6030986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).