3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid

C12H19N3O3 — CID 102801321

IUPAC3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cn(C)nc1C)CC(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-9(5-11(16)17)6-13-12(18)10-7-15(3)14-8(10)2/h7,9H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyMCYVSOKMIZGVDU-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.96
Rot. Bonds6

About 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid

3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 102801321) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID102801321
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cn(C)nc1C)CC(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-9(5-11(16)17)6-13-12(18)10-7-15(3)14-8(10)2/h7,9H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyMCYVSOKMIZGVDU-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607
N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 114168450
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 102801287
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
N-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 103790923
3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
CID 106683561
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
CID 81065530
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802153

Frequently Asked Questions

What is the IUPAC name of 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid (CID 102801321) is 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1cn(C)nc1C)CC(=O)O.
What is the InChIKey of 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is MCYVSOKMIZGVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-9(5-11(16)17)6-13-12(18)10-7-15(3)14-8(10)2/h7,9H,4-6H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid?
3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 102801321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).