1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one

C12H16N4O — CID 63310974

IUPAC1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one
SMILESCc1cccn(CCCn2ccc(N)n2)c1=O
InChIInChI=1S/C12H16N4O/c1-10-4-2-6-15(12(10)17)7-3-8-16-9-5-11(13)14-16/h2,4-6,9H,3,7-8H2,1H3,(H2,13,14)
InChIKeyRNFFKZJBPWECMX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.03
Rot. Bonds4

About 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one

1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one (PubChem CID 63310974) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one
PubChem CID63310974
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one
SMILESCc1cccn(CCCn2ccc(N)n2)c1=O
InChIInChI=1S/C12H16N4O/c1-10-4-2-6-15(12(10)17)7-3-8-16-9-5-11(13)14-16/h2,4-6,9H,3,7-8H2,1H3,(H2,13,14)
InChIKeyRNFFKZJBPWECMX-UHFFFAOYSA-N
XLogP1.03
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one (CID 63310974) is 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one is Cc1cccn(CCCn2ccc(N)n2)c1=O.
What is the InChIKey of 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one?
The InChIKey is RNFFKZJBPWECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-10-4-2-6-15(12(10)17)7-3-8-16-9-5-11(13)14-16/h2,4-6,9H,3,7-8H2,1H3,(H2,13,14).
What are the key properties of 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one?
1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one has a molecular weight of 232.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63310974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).