4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid

C11H16N6O2 — CID 66121681

IUPAC4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid
SMILESCCn1nc(C)cc1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C11H16N6O2/c1-3-16-9(7-8(2)13-16)11-12-14-15-17(11)6-4-5-10(18)19/h7H,3-6H2,1-2H3,(H,18,19)
InChIKeyXGRQOCKXRSMJGD-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.73
Rot. Bonds6

About 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid

4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid (PubChem CID 66121681) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid
PubChem CID66121681
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid
SMILESCCn1nc(C)cc1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C11H16N6O2/c1-3-16-9(7-8(2)13-16)11-12-14-15-17(11)6-4-5-10(18)19/h7H,3-6H2,1-2H3,(H,18,19)
InChIKeyXGRQOCKXRSMJGD-UHFFFAOYSA-N
XLogP0.73
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid (CID 66121681) is 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid is CCn1nc(C)cc1-c1nnnn1CCCC(=O)O.
What is the InChIKey of 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is XGRQOCKXRSMJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-16-9(7-8(2)13-16)11-12-14-15-17(11)6-4-5-10(18)19/h7H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid?
4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 264.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66121681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).