2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid

C15H21N5O3 — CID 119231075

IUPAC2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H21N5O3/c1-9(7-12-10(2)17-19(4)11(12)3)15(23)16-13-5-6-20(18-13)8-14(21)22/h5-6,9H,7-8H2,1-4H3,(H,21,22)(H,16,18,23)
InChIKeyIEGAUEQDAHHYCN-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.14
Rot. Bonds6

About 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119231075) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119231075
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H21N5O3/c1-9(7-12-10(2)17-19(4)11(12)3)15(23)16-13-5-6-20(18-13)8-14(21)22/h5-6,9H,7-8H2,1-4H3,(H,21,22)(H,16,18,23)
InChIKeyIEGAUEQDAHHYCN-UHFFFAOYSA-N
XLogP1.14
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119529693
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
4-[[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]benzoic acid
CID 119165575
4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119204397
3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 75429225
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
methyl (2S,3R)-2-methyl-3-[[(2R)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]sulfamoyl]butanoate
CID 99793754
N-(2-aminoethyl)-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]benzamide;dihydrochloride
CID 120603325
2-[3-[(2-benzylsulfanyl-3-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 119230981

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid (CID 119231075) is 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid is Cc1nn(C)c(C)c1CC(C)C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is IEGAUEQDAHHYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9(7-12-10(2)17-19(4)11(12)3)15(23)16-13-5-6-20(18-13)8-14(21)22/h5-6,9H,7-8H2,1-4H3,(H,21,22)(H,16,18,23).
What are the key properties of 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 319.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).