2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one

C13H21ClN4O — CID 66898275

IUPAC2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)C(N)CCn2cc(Cl)cn2)CC1
InChIInChI=1S/C13H21ClN4O/c1-10-2-5-17(6-3-10)13(19)12(15)4-7-18-9-11(14)8-16-18/h8-10,12H,2-7,15H2,1H3
InChIKeyKTGZEVBHSGLAAN-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.51
Rot. Bonds4

About 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one

2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one (PubChem CID 66898275) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
PubChem CID66898275
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)C(N)CCn2cc(Cl)cn2)CC1
InChIInChI=1S/C13H21ClN4O/c1-10-2-5-17(6-3-10)13(19)12(15)4-7-18-9-11(14)8-16-18/h8-10,12H,2-7,15H2,1H3
InChIKeyKTGZEVBHSGLAAN-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one (CID 66898275) is 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one is CC1CCN(C(=O)C(N)CCn2cc(Cl)cn2)CC1.
What is the InChIKey of 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is KTGZEVBHSGLAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-10-2-5-17(6-3-10)13(19)12(15)4-7-18-9-11(14)8-16-18/h8-10,12H,2-7,15H2,1H3.
What are the key properties of 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one?
2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 284.79 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 66898275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).