N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide

C18H19N3O2 — CID 12872289

IUPACN-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC(O)CNC(=O)c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C18H19N3O2/c1-2-14(22)12-19-18(23)16-15-10-6-7-11-21(15)20-17(16)13-8-4-3-5-9-13/h3-11,14,22H,2,12H2,1H3,(H,19,23)
InChIKeyWMDNMNDTRNONDO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.50
Rot. Bonds5

About N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide

N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 12872289) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID12872289
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC(O)CNC(=O)c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C18H19N3O2/c1-2-14(22)12-19-18(23)16-15-10-6-7-11-21(15)20-17(16)13-8-4-3-5-9-13/h3-11,14,22H,2,12H2,1H3,(H,19,23)
InChIKeyWMDNMNDTRNONDO-UHFFFAOYSA-N
XLogP2.50
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 12872289) is N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide is CCC(O)CNC(=O)c1c(-c2ccccc2)nn2ccccc12.
What is the InChIKey of N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WMDNMNDTRNONDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-14(22)12-19-18(23)16-15-10-6-7-11-21(15)20-17(16)13-8-4-3-5-9-13/h3-11,14,22H,2,12H2,1H3,(H,19,23).
What are the key properties of N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 12872289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).