2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone

C14H13BrN4O — CID 103124830

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
SMILESCc1nn(C)c(CC(=O)c2cnn3ccccc23)c1Br
InChIInChI=1S/C14H13BrN4O/c1-9-14(15)12(18(2)17-9)7-13(20)10-8-16-19-6-4-3-5-11(10)19/h3-6,8H,7H2,1-2H3
InChIKeyMCPLCZDONMTJTL-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone (PubChem CID 103124830) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
PubChem CID103124830
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
SMILESCc1nn(C)c(CC(=O)c2cnn3ccccc23)c1Br
InChIInChI=1S/C14H13BrN4O/c1-9-14(15)12(18(2)17-9)7-13(20)10-8-16-19-6-4-3-5-11(10)19/h3-6,8H,7H2,1-2H3
InChIKeyMCPLCZDONMTJTL-UHFFFAOYSA-N
XLogP2.56
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124801
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone
CID 103124833
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124816
1-(4-bromophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119106
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105110721
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 107311580
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114982037
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79721702
2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124123
2-(2,4-difluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124128
(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125364
(1R)-1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-phenylpropan-2-one
CID 104891130

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone (CID 103124830) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone is Cc1nn(C)c(CC(=O)c2cnn3ccccc23)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The InChIKey is MCPLCZDONMTJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-9-14(15)12(18(2)17-9)7-13(20)10-8-16-19-6-4-3-5-11(10)19/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone has a molecular weight of 333.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone is sourced from PubChem (CID 103124830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).