4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid

C11H16N2O2 — CID 21258063

IUPAC4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1n[nH]c2c1CCCC2
InChIInChI=1S/C11H16N2O2/c14-11(15)7-3-6-10-8-4-1-2-5-9(8)12-13-10/h1-7H2,(H,12,13)(H,14,15)
InChIKeyMTXONUCWKJLCIT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.70
Rot. Bonds4

About 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid

4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid (PubChem CID 21258063) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
PubChem CID21258063
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1n[nH]c2c1CCCC2
InChIInChI=1S/C11H16N2O2/c14-11(15)7-3-6-10-8-4-1-2-5-9(8)12-13-10/h1-7H2,(H,12,13)(H,14,15)
InChIKeyMTXONUCWKJLCIT-UHFFFAOYSA-N
XLogP1.70
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid (CID 21258063) is 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid is O=C(O)CCCc1n[nH]c2c1CCCC2.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The InChIKey is MTXONUCWKJLCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11(15)7-3-6-10-8-4-1-2-5-9(8)12-13-10/h1-7H2,(H,12,13)(H,14,15).
What are the key properties of 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid is sourced from PubChem (CID 21258063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).