3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid

C10H17N3O2 — CID 155858515

IUPAC3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
SMILESCc1c(C(C)NCCC(=O)O)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7(11-5-4-10(14)15)9-6-12-13(3)8(9)2/h6-7,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyPCLGGUHKYPSWKN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds5

About 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid

3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid (PubChem CID 155858515) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
PubChem CID155858515
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
SMILESCc1c(C(C)NCCC(=O)O)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7(11-5-4-10(14)15)9-6-12-13(3)8(9)2/h6-7,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyPCLGGUHKYPSWKN-UHFFFAOYSA-N
XLogP0.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]benzoic acid
CID 65347777
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
CID 115970555
1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 115970494
3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623630
2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid
CID 54947856
1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 110010378
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine
CID 115970239

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid?
The IUPAC name of 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid (CID 155858515) is 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid is Cc1c(C(C)NCCC(=O)O)cnn1C.
What is the InChIKey of 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid?
The InChIKey is PCLGGUHKYPSWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(11-5-4-10(14)15)9-6-12-13(3)8(9)2/h6-7,11H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid?
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid is sourced from PubChem (CID 155858515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).