2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone

C12H15ClN4O — CID 6499812

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)Cn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C12H15ClN4O/c1-7-5-8(2)17(14-7)11(18)6-16-10(4)12(13)9(3)15-16/h5H,6H2,1-4H3
InChIKeyNMKNRSYRYRGAQJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.31
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 6499812) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID6499812
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)Cn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C12H15ClN4O/c1-7-5-8(2)17(14-7)11(18)6-16-10(4)12(13)9(3)15-16/h5H,6H2,1-4H3
InChIKeyNMKNRSYRYRGAQJ-UHFFFAOYSA-N
XLogP2.31
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 12791875
3,4,4-trichloro-1-(3,5-dimethylpyrazol-1-yl)but-3-en-1-one
CID 3891086
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19525235
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 56725380
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide
CID 55925267
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-iodophenyl)ethanone
CID 62128836
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 5302443
1-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 62129519
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62129518
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95758834
(3R)-4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125152719

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CID 6499812) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(C(=O)Cn2nc(C)c(Cl)c2C)n1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is NMKNRSYRYRGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-7-5-8(2)17(14-7)11(18)6-16-10(4)12(13)9(3)15-16/h5H,6H2,1-4H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 266.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 6499812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).