1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one

C10H16ClN3O — CID 114669017

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H16ClN3O/c1-5-12-10(2,3)9(15)8-7(11)6-13-14(8)4/h6,12H,5H2,1-4H3
InChIKeyFMAZVRYKUBUTAW-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.64
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one

1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 114669017) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
PubChem CID114669017
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H16ClN3O/c1-5-12-10(2,3)9(15)8-7(11)6-13-14(8)4/h6,12H,5H2,1-4H3
InChIKeyFMAZVRYKUBUTAW-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 114669032
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 115809135
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668630
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
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
1-(4-chloro-1-methylpyrazol-5-yl)-2-propoxyethanone
CID 114639642
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642539
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)hexan-1-one
CID 114671020

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one (CID 114669017) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is FMAZVRYKUBUTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-5-12-10(2,3)9(15)8-7(11)6-13-14(8)4/h6,12H,5H2,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one?
1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 229.71 g/mol, XLogP of 1.64, 4 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-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 114669017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).