3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide

C22H20N4O — CID 15956861

IUPAC3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc3ccccc3c2)nn1-c1ccccn1
InChIInChI=1S/C22H20N4O/c1-2-12-24-22(27)20-15-19(25-26(20)21-9-5-6-13-23-21)18-11-10-16-7-3-4-8-17(16)14-18/h3-11,13-15H,2,12H2,1H3,(H,24,27)
InChIKeyQTYNOHMINVSCPU-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.23
Rot. Bonds5

About 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide

3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide (PubChem CID 15956861) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide
PubChem CID15956861
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc3ccccc3c2)nn1-c1ccccn1
InChIInChI=1S/C22H20N4O/c1-2-12-24-22(27)20-15-19(25-26(20)21-9-5-6-13-23-21)18-11-10-16-7-3-4-8-17(16)14-18/h3-11,13-15H,2,12H2,1H3,(H,24,27)
InChIKeyQTYNOHMINVSCPU-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide (CID 15956861) is 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide is CCCNC(=O)c1cc(-c2ccc3ccccc3c2)nn1-c1ccccn1.
What is the InChIKey of 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide?
The InChIKey is QTYNOHMINVSCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-12-24-22(27)20-15-19(25-26(20)21-9-5-6-13-23-21)18-11-10-16-7-3-4-8-17(16)14-18/h3-11,13-15H,2,12H2,1H3,(H,24,27).
What are the key properties of 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide?
3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-propyl-1-pyridin-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 15956861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).