5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid

C12H19N3O3 — CID 19577798

IUPAC5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid
SMILESCc1nn(C)cc1CN(C)C(=O)CCCC(=O)O
InChIInChI=1S/C12H19N3O3/c1-9-10(8-15(3)13-9)7-14(2)11(16)5-4-6-12(17)18/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyFIFVWOQLKJSHKH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.94
Rot. Bonds6

About 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid

5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid (PubChem CID 19577798) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid
PubChem CID19577798
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid
SMILESCc1nn(C)cc1CN(C)C(=O)CCCC(=O)O
InChIInChI=1S/C12H19N3O3/c1-9-10(8-15(3)13-9)7-14(2)11(16)5-4-6-12(17)18/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyFIFVWOQLKJSHKH-UHFFFAOYSA-N
XLogP0.94
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid (CID 19577798) is 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid is Cc1nn(C)cc1CN(C)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid?
The InChIKey is FIFVWOQLKJSHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-10(8-15(3)13-9)7-14(2)11(16)5-4-6-12(17)18/h8H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid?
5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 19577798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).