3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide

C14H17BrN4O2 — CID 4774564

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(C)n(NC(=O)CCn2ncc(Br)c2C)c(=O)c1
InChIInChI=1S/C14H17BrN4O2/c1-9-6-10(2)19(14(21)7-9)17-13(20)4-5-18-11(3)12(15)8-16-18/h6-8H,4-5H2,1-3H3,(H,17,20)
InChIKeyXTVFBFQJNQYPAH-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.89
Rot. Bonds4

About 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide

3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 4774564) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
PubChem CID4774564
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(C)n(NC(=O)CCn2ncc(Br)c2C)c(=O)c1
InChIInChI=1S/C14H17BrN4O2/c1-9-6-10(2)19(14(21)7-9)17-13(20)4-5-18-11(3)12(15)8-16-18/h6-8H,4-5H2,1-3H3,(H,17,20)
InChIKeyXTVFBFQJNQYPAH-UHFFFAOYSA-N
XLogP1.89
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxopyridin-1-yl)propanamide
CID 4774432
4-bromo-N-(2,4-dimethyl-6-oxopyridin-1-yl)-1-methylpyrazole-3-carboxamide
CID 4773887
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanehydrazide
CID 7018421
3-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanehydrazide
CID 7018423
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 86286935
6-ethyl-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 122131442
3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one
CID 167899496

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide (CID 4774564) is 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide is Cc1cc(C)n(NC(=O)CCn2ncc(Br)c2C)c(=O)c1.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is XTVFBFQJNQYPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-9-6-10(2)19(14(21)7-9)17-13(20)4-5-18-11(3)12(15)8-16-18/h6-8H,4-5H2,1-3H3,(H,17,20).
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 353.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 4774564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).