N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide

C17H24N4O2 — CID 109381089

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C17H24N4O2/c1-12(2)14(22)17(3,4)11-19-16(23)13-7-5-8-18-15(13)21-10-6-9-20-21/h5-10,12,14,22H,11H2,1-4H3,(H,19,23)
InChIKeyHLGLNQJRGIVFMM-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.04
Rot. Bonds6

About N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 109381089) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID109381089
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C17H24N4O2/c1-12(2)14(22)17(3,4)11-19-16(23)13-7-5-8-18-15(13)21-10-6-9-20-21/h5-10,12,14,22H,11H2,1-4H3,(H,19,23)
InChIKeyHLGLNQJRGIVFMM-UHFFFAOYSA-N
XLogP2.04
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide (CID 109381089) is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1cccnc1-n1cccn1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is HLGLNQJRGIVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)14(22)17(3,4)11-19-16(23)13-7-5-8-18-15(13)21-10-6-9-20-21/h5-10,12,14,22H,11H2,1-4H3,(H,19,23).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 109381089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).