4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid

C10H15N3O3 — CID 19620319

IUPAC4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid
SMILESCN(Cc1ccn(C)n1)C(=O)CCC(=O)O
InChIInChI=1S/C10H15N3O3/c1-12(9(14)3-4-10(15)16)7-8-5-6-13(2)11-8/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyVDSSNTCJUMGGNM-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.24
Rot. Bonds5

About 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid

4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid (PubChem CID 19620319) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid
PubChem CID19620319
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid
SMILESCN(Cc1ccn(C)n1)C(=O)CCC(=O)O
InChIInChI=1S/C10H15N3O3/c1-12(9(14)3-4-10(15)16)7-8-5-6-13(2)11-8/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyVDSSNTCJUMGGNM-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19452057
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19452152
4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82872604
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 19452153
2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452041
N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19588309
3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanethioamide
CID 82866501
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452287
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19452078
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 82873391
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 19558354

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid (CID 19620319) is 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid is CN(Cc1ccn(C)n1)C(=O)CCC(=O)O.
What is the InChIKey of 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid?
The InChIKey is VDSSNTCJUMGGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12(9(14)3-4-10(15)16)7-8-5-6-13(2)11-8/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid?
4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 19620319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).