2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid

C10H16N2O2 — CID 68630750

IUPAC2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
SMILESCc1[nH]nc(CC(C)C)c1CC(=O)O
InChIInChI=1S/C10H16N2O2/c1-6(2)4-9-8(5-10(13)14)7(3)11-12-9/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIRYAENGPVZUZHU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.54
Rot. Bonds4

About 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid

2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 68630750) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
PubChem CID68630750
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
SMILESCc1[nH]nc(CC(C)C)c1CC(=O)O
InChIInChI=1S/C10H16N2O2/c1-6(2)4-9-8(5-10(13)14)7(3)11-12-9/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIRYAENGPVZUZHU-UHFFFAOYSA-N
XLogP1.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid (CID 68630750) is 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid is Cc1[nH]nc(CC(C)C)c1CC(=O)O.
What is the InChIKey of 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is IRYAENGPVZUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)4-9-8(5-10(13)14)7(3)11-12-9/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 196.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 68630750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).