3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide

C20H16N4OS — CID 1386855

IUPAC3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1cccs1
InChIInChI=1S/C20H16N4OS/c1-13(19-10-5-11-26-19)21-24-20(25)18-12-17(22-23-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeySXWQEYHFBJMVGB-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.45
Rot. Bonds4

About 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide

3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 1386855) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID1386855
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1cccs1
InChIInChI=1S/C20H16N4OS/c1-13(19-10-5-11-26-19)21-24-20(25)18-12-17(22-23-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeySXWQEYHFBJMVGB-UHFFFAOYSA-N
XLogP4.45
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.45
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-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 4652301
2-naphthalen-1-yloxy-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 5406666
3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1357967
3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4198779
5-thiophen-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5392068
3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686577
N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 1390076
4-bromo-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982662
3-(2-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547180
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
methyl 4-[(E)-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate
CID 6872304

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide (CID 1386855) is 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide is CC(=NNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1cccs1.
What is the InChIKey of 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is SXWQEYHFBJMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-13(19-10-5-11-26-19)21-24-20(25)18-12-17(22-23-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1386855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).