1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one

C9H14ClN3O — CID 114669032

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C9H14ClN3O/c1-9(2,11-3)8(14)7-6(10)5-12-13(7)4/h5,11H,1-4H3
InChIKeyUDKVEGMSIBYGII-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.25
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one

1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 114669032) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID114669032
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C9H14ClN3O/c1-9(2,11-3)8(14)7-6(10)5-12-13(7)4/h5,11H,1-4H3
InChIKeyUDKVEGMSIBYGII-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 114669017
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 115809135
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668630
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114669269
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one (CID 114669032) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is UDKVEGMSIBYGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-9(2,11-3)8(14)7-6(10)5-12-13(7)4/h5,11H,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one?
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 215.68 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 114669032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).