4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid

C13H15N3O4 — CID 4919606

IUPAC4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid
SMILESCc1occc1C(=O)Nc1cnn(CCCC(=O)O)c1
InChIInChI=1S/C13H15N3O4/c1-9-11(4-6-20-9)13(19)15-10-7-14-16(8-10)5-2-3-12(17)18/h4,6-8H,2-3,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyWAEAPPSJRBEQFK-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.90
Rot. Bonds6

About 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid

4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid (PubChem CID 4919606) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid
PubChem CID4919606
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid
SMILESCc1occc1C(=O)Nc1cnn(CCCC(=O)O)c1
InChIInChI=1S/C13H15N3O4/c1-9-11(4-6-20-9)13(19)15-10-7-14-16(8-10)5-2-3-12(17)18/h4,6-8H,2-3,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyWAEAPPSJRBEQFK-UHFFFAOYSA-N
XLogP1.90
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid?
The IUPAC name of 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid (CID 4919606) is 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid is Cc1occc1C(=O)Nc1cnn(CCCC(=O)O)c1.
What is the InChIKey of 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid?
The InChIKey is WAEAPPSJRBEQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-9-11(4-6-20-9)13(19)15-10-7-14-16(8-10)5-2-3-12(17)18/h4,6-8H,2-3,5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid?
4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylfuran-3-carbonyl)amino]pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 4919606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).