3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid

C15H19N3O2 — CID 61010480

IUPAC3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-17(11-8-15(19)20)12-13-4-6-14(7-5-13)18-10-3-9-16-18/h3-7,9-10H,2,8,11-12H2,1H3,(H,19,20)
InChIKeyMECRUXRDTDMFEK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds7

About 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid

3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid (PubChem CID 61010480) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
PubChem CID61010480
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-17(11-8-15(19)20)12-13-4-6-14(7-5-13)18-10-3-9-16-18/h3-7,9-10H,2,8,11-12H2,1H3,(H,19,20)
InChIKeyMECRUXRDTDMFEK-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
CID 61006750
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 51100264
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
CID 55209592
N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 78811414
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 75504441
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
1-ethyl-1-(2-methylprop-2-enyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122157666
N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 60514653
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid (CID 61010480) is 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid is CCN(CCC(=O)O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The InChIKey is MECRUXRDTDMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-17(11-8-15(19)20)12-13-4-6-14(7-5-13)18-10-3-9-16-18/h3-7,9-10H,2,8,11-12H2,1H3,(H,19,20).
What are the key properties of 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 61010480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).