4-(1H-pyrazol-5-yl)butanoic acid

C7H10N2O2 — CID 59681645

IUPAC4-(1H-pyrazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1ccn[nH]1
InChIInChI=1S/C7H10N2O2/c10-7(11)3-1-2-6-4-5-8-9-6/h4-5H,1-3H2,(H,8,9)(H,10,11)
InChIKeyWZVFKHOQVCNASF-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.82
Rot. Bonds4

About 4-(1H-pyrazol-5-yl)butanoic acid

4-(1H-pyrazol-5-yl)butanoic acid (PubChem CID 59681645) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)butanoic acid
PubChem CID59681645
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-(1H-pyrazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1ccn[nH]1
InChIInChI=1S/C7H10N2O2/c10-7(11)3-1-2-6-4-5-8-9-6/h4-5H,1-3H2,(H,8,9)(H,10,11)
InChIKeyWZVFKHOQVCNASF-UHFFFAOYSA-N
XLogP0.82
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)butanoic acid?
The IUPAC name of 4-(1H-pyrazol-5-yl)butanoic acid (CID 59681645) is 4-(1H-pyrazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)butanoic acid?
The canonical SMILES for 4-(1H-pyrazol-5-yl)butanoic acid is O=C(O)CCCc1ccn[nH]1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)butanoic acid?
The InChIKey is WZVFKHOQVCNASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-7(11)3-1-2-6-4-5-8-9-6/h4-5H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 4-(1H-pyrazol-5-yl)butanoic acid?
4-(1H-pyrazol-5-yl)butanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)butanoic acid is sourced from PubChem (CID 59681645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).