5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide

C14H16N4O2 — CID 50962113

IUPAC5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCC(=O)Cc1c(C)nn(-c2cncc(C(N)=O)c2)c1C
InChIInChI=1S/C14H16N4O2/c1-8(19)4-13-9(2)17-18(10(13)3)12-5-11(14(15)20)6-16-7-12/h5-7H,4H2,1-3H3,(H2,15,20)
InChIKeyUXSXULBWTVJYIU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.11
Rot. Bonds4

About 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide

5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 50962113) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID50962113
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCC(=O)Cc1c(C)nn(-c2cncc(C(N)=O)c2)c1C
InChIInChI=1S/C14H16N4O2/c1-8(19)4-13-9(2)17-18(10(13)3)12-5-11(14(15)20)6-16-7-12/h5-7H,4H2,1-3H3,(H2,15,20)
InChIKeyUXSXULBWTVJYIU-UHFFFAOYSA-N
XLogP1.11
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 50962113) is 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide is CC(=O)Cc1c(C)nn(-c2cncc(C(N)=O)c2)c1C.
What is the InChIKey of 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is UXSXULBWTVJYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(19)4-13-9(2)17-18(10(13)3)12-5-11(14(15)20)6-16-7-12/h5-7H,4H2,1-3H3,(H2,15,20).
What are the key properties of 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide?
5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-(2-oxopropyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 50962113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).