4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid

C14H16N2O3 — CID 139033660

IUPAC4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
SMILESCOc1ccc(-c2cnn(CCCC(=O)O)c2)cc1
InChIInChI=1S/C14H16N2O3/c1-19-13-6-4-11(5-7-13)12-9-15-16(10-12)8-2-3-14(17)18/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)
InChIKeyNBNGONWGNFZBSG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.42
Rot. Bonds6

About 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid

4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid (PubChem CID 139033660) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
PubChem CID139033660
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
SMILESCOc1ccc(-c2cnn(CCCC(=O)O)c2)cc1
InChIInChI=1S/C14H16N2O3/c1-19-13-6-4-11(5-7-13)12-9-15-16(10-12)8-2-3-14(17)18/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)
InChIKeyNBNGONWGNFZBSG-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid (CID 139033660) is 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid is COc1ccc(-c2cnn(CCCC(=O)O)c2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid?
The InChIKey is NBNGONWGNFZBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-13-6-4-11(5-7-13)12-9-15-16(10-12)8-2-3-14(17)18/h4-7,9-10H,2-3,8H2,1H3,(H,17,18).
What are the key properties of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid?
4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 139033660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).