N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C24H17N3OS — CID 2308238

IUPACN-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H17N3OS/c28-24(25-21-13-6-9-17-8-4-5-12-19(17)21)20-16-27(18-10-2-1-3-11-18)26-23(20)22-14-7-15-29-22/h1-16H,(H,25,28)
InChIKeyFDEJFDPKJRAYOE-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.01
Rot. Bonds4

About N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2308238) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2308238
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC NameN-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H17N3OS/c28-24(25-21-13-6-9-17-8-4-5-12-19(17)21)20-16-27(18-10-2-1-3-11-18)26-23(20)22-14-7-15-29-22/h1-16H,(H,25,28)
InChIKeyFDEJFDPKJRAYOE-UHFFFAOYSA-N
XLogP6.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2308238) is N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(Nc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is FDEJFDPKJRAYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c28-24(25-21-13-6-9-17-8-4-5-12-19(17)21)20-16-27(18-10-2-1-3-11-18)26-23(20)22-14-7-15-29-22/h1-16H,(H,25,28).
What are the key properties of N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2308238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).