2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid

C15H19N3O2 — CID 61006750

IUPAC2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-9-17(12-15(19)20)11-13-4-6-14(7-5-13)18-10-3-8-16-18/h3-8,10H,2,9,11-12H2,1H3,(H,19,20)
InChIKeyISYCZXMMNXDOLD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds7

About 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid

2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid (PubChem CID 61006750) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
PubChem CID61006750
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-9-17(12-15(19)20)11-13-4-6-14(7-5-13)18-10-3-8-16-18/h3-8,10H,2,9,11-12H2,1H3,(H,19,20)
InChIKeyISYCZXMMNXDOLD-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

3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 61010480
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-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230
2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
CID 62737156
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
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
N-(2-methoxyethyl)-3-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 60514653
2-[2,2-dimethylpropyl-(4-pyrazol-1-ylbenzoyl)amino]acetic acid
CID 138032285
2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid
CID 122040180

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid (CID 61006750) is 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid is CCCN(CC(=O)O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid?
The InChIKey is ISYCZXMMNXDOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-9-17(12-15(19)20)11-13-4-6-14(7-5-13)18-10-3-8-16-18/h3-8,10H,2,9,11-12H2,1H3,(H,19,20).
What are the key properties of 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid?
2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic 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 2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 61006750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).