2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one

C11H18ClN3O — CID 114670189

IUPAC2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H18ClN3O/c1-5-11(4,13)10(16)9-8(12)6-14-15(9)7(2)3/h6-7H,5,13H2,1-4H3
InChIKeyAJTQREDLUYIWSF-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one

2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one (PubChem CID 114670189) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one
PubChem CID114670189
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H18ClN3O/c1-5-11(4,13)10(16)9-8(12)6-14-15(9)7(2)3/h6-7H,5,13H2,1-4H3
InChIKeyAJTQREDLUYIWSF-UHFFFAOYSA-N
XLogP2.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670309
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
CID 114641067
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one
CID 114668919
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
2-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670308
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
3-(aminomethyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-one
CID 114670481
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
CID 106677630
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114668567
2-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114668152
4-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-phenylbutan-1-one
CID 114669252
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one (CID 114670189) is 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one is CCC(C)(N)C(=O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one?
The InChIKey is AJTQREDLUYIWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-11(4,13)10(16)9-8(12)6-14-15(9)7(2)3/h6-7H,5,13H2,1-4H3.
What are the key properties of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one?
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one has a molecular weight of 243.74 g/mol, XLogP of 2.43, 4 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-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one is sourced from PubChem (CID 114670189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).