4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid

C14H17N3O2 — CID 62961516

IUPAC4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid
SMILESNC(CCC(=O)O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H17N3O2/c15-12(6-7-14(18)19)8-11-9-16-17(10-11)13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,15H2,(H,18,19)
InChIKeyUBSKJBHEUDTLGO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.61
Rot. Bonds6

About 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid

4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid (PubChem CID 62961516) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid
PubChem CID62961516
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid
SMILESNC(CCC(=O)O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H17N3O2/c15-12(6-7-14(18)19)8-11-9-16-17(10-11)13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,15H2,(H,18,19)
InChIKeyUBSKJBHEUDTLGO-UHFFFAOYSA-N
XLogP1.61
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid
CID 43332175
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
3-[(1-phenylpyrazol-4-yl)methylsulfanyl]butanoic acid
CID 66136010
(4R)-4-amino-5-(4-aminophenyl)pentanoic acid
CID 66644557
N-(3-amino-4-methylpentyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119657817
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
3-[1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 83894149
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid (CID 62961516) is 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid is NC(CCC(=O)O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid?
The InChIKey is UBSKJBHEUDTLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-12(6-7-14(18)19)8-11-9-16-17(10-11)13-4-2-1-3-5-13/h1-5,9-10,12H,6-8,15H2,(H,18,19).
What are the key properties of 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid?
4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid is sourced from PubChem (CID 62961516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).