3-[(1-benzylpyrazol-4-yl)amino]propanoic acid

C13H15N3O2 — CID 82539638

IUPAC3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H15N3O2/c17-13(18)6-7-14-12-8-15-16(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,14H,6-7,9H2,(H,17,18)
InChIKeyQOGAQTGBIQAVJT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.82
Rot. Bonds6

About 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid

3-[(1-benzylpyrazol-4-yl)amino]propanoic acid (PubChem CID 82539638) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
PubChem CID82539638
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H15N3O2/c17-13(18)6-7-14-12-8-15-16(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,14H,6-7,9H2,(H,17,18)
InChIKeyQOGAQTGBIQAVJT-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
3-[3-[(1-benzylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506527
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
3-[(1-benzylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]propanoic acid
CID 119139161
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid (CID 82539638) is 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid is O=C(O)CCNc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid?
The InChIKey is QOGAQTGBIQAVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)6-7-14-12-8-15-16(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,14H,6-7,9H2,(H,17,18).
What are the key properties of 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid?
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrazol-4-yl)amino]propanoic acid is sourced from PubChem (CID 82539638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).