1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one

C13H16N4O — CID 167156833

IUPAC1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(C(C)(C)C(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C13H16N4O/c1-9-6-16-17(8-9)13(2,3)12(18)11-5-4-10(14)7-15-11/h4-8H,14H2,1-3H3
InChIKeyKLDLQFMVMGQCPK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.79
Rot. Bonds3

About 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one

1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 167156833) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID167156833
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(C(C)(C)C(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C13H16N4O/c1-9-6-16-17(8-9)13(2,3)12(18)11-5-4-10(14)7-15-11/h4-8H,14H2,1-3H3
InChIKeyKLDLQFMVMGQCPK-UHFFFAOYSA-N
XLogP1.79
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one (CID 167156833) is 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one is Cc1cnn(C(C)(C)C(=O)c2ccc(N)cn2)c1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is KLDLQFMVMGQCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-16-17(8-9)13(2,3)12(18)11-5-4-10(14)7-15-11/h4-8H,14H2,1-3H3.
What are the key properties of 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one?
1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 244.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 167156833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).