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

C16H19N3O2 — CID 60840230

IUPAC3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccc(-n2cccn2)cc1)C1CC1
InChIInChI=1S/C16H19N3O2/c20-16(21)8-11-18(14-6-7-14)12-13-2-4-15(5-3-13)19-10-1-9-17-19/h1-5,9-10,14H,6-8,11-12H2,(H,20,21)
InChIKeyWVDMOSRWIOVBRR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.31
Rot. Bonds7

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

3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid (PubChem CID 60840230) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
PubChem CID60840230
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccc(-n2cccn2)cc1)C1CC1
InChIInChI=1S/C16H19N3O2/c20-16(21)8-11-18(14-6-7-14)12-13-2-4-15(5-3-13)19-10-1-9-17-19/h1-5,9-10,14H,6-8,11-12H2,(H,20,21)
InChIKeyWVDMOSRWIOVBRR-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.31
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
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
CID 75504406
2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
CID 61006750
3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65054438
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
3-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 55041385
N-cyclopropyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 56525607

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid (CID 60840230) is 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid is O=C(O)CCN(Cc1ccc(-n2cccn2)cc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
The InChIKey is WVDMOSRWIOVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)8-11-18(14-6-7-14)12-13-2-4-15(5-3-13)19-10-1-9-17-19/h1-5,9-10,14H,6-8,11-12H2,(H,20,21).
What are the key properties of 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid has a molecular weight of 285.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 60840230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).