3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

C19H14N4OS — CID 5342869

IUPAC3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C19H14N4OS/c24-19(23-20-12-16-6-3-9-25-16)18-11-17(21-22-18)15-8-7-13-4-1-2-5-14(13)10-15/h1-12H,(H,21,22)(H,23,24)/b20-12+
InChIKeyPTIJHEQVUMRYGO-UDWIEESQSA-N
MW346.42 g/mol
LogP4.06
Rot. Bonds4

About 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5342869) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID5342869
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C19H14N4OS/c24-19(23-20-12-16-6-3-9-25-16)18-11-17(21-22-18)15-8-7-13-4-1-2-5-14(13)10-15/h1-12H,(H,21,22)(H,23,24)/b20-12+
InChIKeyPTIJHEQVUMRYGO-UDWIEESQSA-N
XLogP4.06
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 5342869) is 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1cccs1)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is PTIJHEQVUMRYGO-UDWIEESQSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-19(23-20-12-16-6-3-9-25-16)18-11-17(21-22-18)15-8-7-13-4-1-2-5-14(13)10-15/h1-12H,(H,21,22)(H,23,24)/b20-12+.
What are the key properties of 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5342869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).