3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid

C11H12N2O3 — CID 167839702

IUPAC3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1cc(-c2ccco2)cn1
InChIInChI=1S/C11H12N2O3/c1-8(5-11(14)15)13-7-9(6-12-13)10-3-2-4-16-10/h2-4,6-8H,5H2,1H3,(H,14,15)
InChIKeyYXWCPQLNVZBRDU-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.18
Rot. Bonds4

About 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid

3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid (PubChem CID 167839702) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid
PubChem CID167839702
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1cc(-c2ccco2)cn1
InChIInChI=1S/C11H12N2O3/c1-8(5-11(14)15)13-7-9(6-12-13)10-3-2-4-16-10/h2-4,6-8H,5H2,1H3,(H,14,15)
InChIKeyYXWCPQLNVZBRDU-UHFFFAOYSA-N
XLogP2.18
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-methylpyrazol-1-yl)butanoic acid
CID 93345108
3-(4-propan-2-ylpyrazol-1-yl)butanoic acid
CID 112545791
3-(4-fluoropyrazol-1-yl)butanoic acid
CID 171324419
4-(4-phenylpyrazol-1-yl)pentanoic acid
CID 62772191
3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid
CID 68797274
N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 110210706
4,4,4-trifluoro-3-(4-phenylpyrazol-1-yl)butanoic acid
CID 63073223
N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 121020203
3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine
CID 121214021
N-[4-(furan-2-yl)phenyl]-3-methylbutanamide
CID 168525798
N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide
CID 122244604
2-[3-(furan-2-yl)-2-methyl-6-oxopyrazin-1-yl]acetic acid
CID 91000148

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid (CID 167839702) is 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid is CC(CC(=O)O)n1cc(-c2ccco2)cn1.
What is the InChIKey of 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid?
The InChIKey is YXWCPQLNVZBRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(5-11(14)15)13-7-9(6-12-13)10-3-2-4-16-10/h2-4,6-8H,5H2,1H3,(H,14,15).
What are the key properties of 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid?
3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid has a molecular weight of 220.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-yl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 167839702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).