2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one

C10H14ClN3O — CID 114668630

IUPAC2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
SMILESCn1ncc(Cl)c1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H14ClN3O/c1-10(12,6-3-4-6)9(15)8-7(11)5-13-14(8)2/h5-6H,3-4,12H2,1-2H3
InChIKeyGGXUWZOOLCWLHV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one

2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one (PubChem CID 114668630) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
PubChem CID114668630
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
SMILESCn1ncc(Cl)c1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H14ClN3O/c1-10(12,6-3-4-6)9(15)8-7(11)5-13-14(8)2/h5-6H,3-4,12H2,1-2H3
InChIKeyGGXUWZOOLCWLHV-UHFFFAOYSA-N
XLogP1.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668636
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
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-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114669269
(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
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one?
The IUPAC name of 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one (CID 114668630) is 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one is Cn1ncc(Cl)c1C(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one?
The InChIKey is GGXUWZOOLCWLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-10(12,6-3-4-6)9(15)8-7(11)5-13-14(8)2/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one?
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one has a molecular weight of 227.69 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 114668630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).