N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C16H19N3O — CID 53014919

IUPACN-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c2CCCC3)c(C)c1
InChIInChI=1S/C16H19N3O/c1-11-6-7-14(12(2)9-11)18-16(20)13-10-17-19-8-4-3-5-15(13)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyDNSCUIBLLJAJIQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.09
Rot. Bonds2

About N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 53014919) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID53014919
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c2CCCC3)c(C)c1
InChIInChI=1S/C16H19N3O/c1-11-6-7-14(12(2)9-11)18-16(20)13-10-17-19-8-4-3-5-15(13)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyDNSCUIBLLJAJIQ-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 53014919) is N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnn3c2CCCC3)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DNSCUIBLLJAJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-6-7-14(12(2)9-11)18-16(20)13-10-17-19-8-4-3-5-15(13)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 53014919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).