2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide

C15H20N4O — CID 71807801

IUPAC2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C15H20N4O/c1-15(2,3)14(20)17-9-11-19-10-6-13(18-19)12-4-7-16-8-5-12/h4-8,10H,9,11H2,1-3H3,(H,17,20)
InChIKeyLWFAIOUOWPCIBP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds4

About 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide (PubChem CID 71807801) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
PubChem CID71807801
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C15H20N4O/c1-15(2,3)14(20)17-9-11-19-10-6-13(18-19)12-4-7-16-8-5-12/h4-8,10H,9,11H2,1-3H3,(H,17,20)
InChIKeyLWFAIOUOWPCIBP-UHFFFAOYSA-N
XLogP2.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide (CID 71807801) is 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is LWFAIOUOWPCIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)14(20)17-9-11-19-10-6-13(18-19)12-4-7-16-8-5-12/h4-8,10H,9,11H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 71807801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).