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

C14H16N2O2 — CID 62772191

IUPAC4-(4-phenylpyrazol-1-yl)pentanoic acid
SMILESCC(CCC(=O)O)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H16N2O2/c1-11(7-8-14(17)18)16-10-13(9-15-16)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyNNPFMJKYVLYPAW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.98
Rot. Bonds5

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

4-(4-phenylpyrazol-1-yl)pentanoic acid (PubChem CID 62772191) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-phenylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-(4-phenylpyrazol-1-yl)pentanoic acid
PubChem CID62772191
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(4-phenylpyrazol-1-yl)pentanoic acid
SMILESCC(CCC(=O)O)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H16N2O2/c1-11(7-8-14(17)18)16-10-13(9-15-16)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyNNPFMJKYVLYPAW-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpyrazol-1-yl)pentanoic acid
CID 62213453
4-(4-carbamoylpyrazol-1-yl)pentanoic acid
CID 62829226
3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid
CID 62771313
4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
CID 62770469
N-[2-(4-phenylpyrazol-1-yl)propyl]aniline
CID 62770649
N'-hydroxy-3-(4-phenylpyrazol-1-yl)butanimidamide
CID 76948885
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
4,4,4-trifluoro-3-(4-phenylpyrazol-1-yl)butanoic acid
CID 63073223
ethyl 2-(4-phenylpyrazol-1-yl)pentanoate
CID 83037837
N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine
CID 62769940
ethyl 2-fluoro-2-(4-phenylpyrazol-1-yl)acetate
CID 81298287
2-(4-phenylpyrazol-1-yl)propanenitrile
CID 62772199

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 4-(4-phenylpyrazol-1-yl)pentanoic acid (CID 62772191) is 4-(4-phenylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 4-(4-phenylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 4-(4-phenylpyrazol-1-yl)pentanoic acid is CC(CCC(=O)O)n1cc(-c2ccccc2)cn1.
What is the InChIKey of 4-(4-phenylpyrazol-1-yl)pentanoic acid?
The InChIKey is NNPFMJKYVLYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11(7-8-14(17)18)16-10-13(9-15-16)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,17,18).
What are the key properties of 4-(4-phenylpyrazol-1-yl)pentanoic acid?
4-(4-phenylpyrazol-1-yl)pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 62772191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).