2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide

C15H20N4O3 — CID 91776501

IUPAC2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1ccnn1CCO
InChIInChI=1S/C15H20N4O3/c1-10-8-11(2)18-15(22-3)12(10)9-16-14(21)13-4-5-17-19(13)6-7-20/h4-5,8,20H,6-7,9H2,1-3H3,(H,16,21)
InChIKeyBYGNCFNWGWWWBS-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.83
Rot. Bonds6

About 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide

2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 91776501) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID91776501
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1ccnn1CCO
InChIInChI=1S/C15H20N4O3/c1-10-8-11(2)18-15(22-3)12(10)9-16-14(21)13-4-5-17-19(13)6-7-20/h4-5,8,20H,6-7,9H2,1-3H3,(H,16,21)
InChIKeyBYGNCFNWGWWWBS-UHFFFAOYSA-N
XLogP0.83
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide (CID 91776501) is 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide is COc1nc(C)cc(C)c1CNC(=O)c1ccnn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is BYGNCFNWGWWWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-8-11(2)18-15(22-3)12(10)9-16-14(21)13-4-5-17-19(13)6-7-20/h4-5,8,20H,6-7,9H2,1-3H3,(H,16,21).
What are the key properties of 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91776501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).