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

C15H16FN3O — CID 53014525

IUPACN-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1c(F)cccc1NC(=O)c1cc2n(n1)CCCC2
InChIInChI=1S/C15H16FN3O/c1-10-12(16)6-4-7-13(10)17-15(20)14-9-11-5-2-3-8-19(11)18-14/h4,6-7,9H,2-3,5,8H2,1H3,(H,17,20)
InChIKeyLMCITFBWYNGDFW-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.92
Rot. Bonds2

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

N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 53014525) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID53014525
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1c(F)cccc1NC(=O)c1cc2n(n1)CCCC2
InChIInChI=1S/C15H16FN3O/c1-10-12(16)6-4-7-13(10)17-15(20)14-9-11-5-2-3-8-19(11)18-14/h4,6-7,9H,2-3,5,8H2,1H3,(H,17,20)
InChIKeyLMCITFBWYNGDFW-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (CID 53014525) is N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is Cc1c(F)cccc1NC(=O)c1cc2n(n1)CCCC2.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is LMCITFBWYNGDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-12(16)6-4-7-13(10)17-15(20)14-9-11-5-2-3-8-19(11)18-14/h4,6-7,9H,2-3,5,8H2,1H3,(H,17,20).
What are the key properties of N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 53014525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).