2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid

C11H18N2O2 — CID 66937953

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid
SMILESCc1n[nH]c(C)c1C(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-6-8(7(2)13-12-6)9(10(14)15)11(3,4)5/h9H,1-5H3,(H,12,13)(H,14,15)
InChIKeyHTOTTZOBMYRPGT-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.24
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid (PubChem CID 66937953) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid
PubChem CID66937953
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid
SMILESCc1n[nH]c(C)c1C(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-6-8(7(2)13-12-6)9(10(14)15)11(3,4)5/h9H,1-5H3,(H,12,13)(H,14,15)
InChIKeyHTOTTZOBMYRPGT-UHFFFAOYSA-N
XLogP2.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid (CID 66937953) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid is Cc1n[nH]c(C)c1C(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid?
The InChIKey is HTOTTZOBMYRPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6-8(7(2)13-12-6)9(10(14)15)11(3,4)5/h9H,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 66937953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).