4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one

C10H16ClN3O — CID 114669269

IUPAC4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
SMILESCn1ncc(Cl)c1C(=O)CCC(C)(C)N
InChIInChI=1S/C10H16ClN3O/c1-10(2,12)5-4-8(15)9-7(11)6-13-14(9)3/h6H,4-5,12H2,1-3H3
InChIKeyDIBNZECFRGBEMG-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.77
Rot. Bonds4

About 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one

4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one (PubChem CID 114669269) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
PubChem CID114669269
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
SMILESCn1ncc(Cl)c1C(=O)CCC(C)(C)N
InChIInChI=1S/C10H16ClN3O/c1-10(2,12)5-4-8(15)9-7(11)6-13-14(9)3/h6H,4-5,12H2,1-3H3
InChIKeyDIBNZECFRGBEMG-UHFFFAOYSA-N
XLogP1.77
TPSA60.91 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668630
2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669471
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)hexan-1-one
CID 114671020
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 114669032
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 114669017
1-(4-chloro-1-methylpyrazol-5-yl)-2-propoxyethanone
CID 114639642
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 114639858

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one (CID 114669269) is 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one is Cn1ncc(Cl)c1C(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one?
The InChIKey is DIBNZECFRGBEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-10(2,12)5-4-8(15)9-7(11)6-13-14(9)3/h6H,4-5,12H2,1-3H3.
What are the key properties of 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one?
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one has a molecular weight of 229.71 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one is sourced from PubChem (CID 114669269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).