2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid

C11H18N2O2 — CID 7131172

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C11H18N2O2/c1-7(2)6-13-9(4)10(5-11(14)15)8(3)12-13/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyQRVMFOVTGOXUCJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.78
Rot. Bonds4

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

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid (PubChem CID 7131172) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
PubChem CID7131172
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C11H18N2O2/c1-7(2)6-13-9(4)10(5-11(14)15)8(3)12-13/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyQRVMFOVTGOXUCJ-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoic acid
CID 1096386
5-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-5-oxopentanoic acid
CID 4061705
2-oxo-2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 7131332
2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 16227249
3-(3,4,5-Trimethyl-pyrazol-1-yl)-butyric acid
CID 3160220
2-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005838
2-(3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl)acetic acid
CID 23005849
2-(1,3-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 49879438
2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59229531
[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CID 16774284
2-Methyl-3-(3,4,5-trimethyl-pyrazol-1-yl)-propionic acid
CID 3162903
2-[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CID 47002204

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid (CID 7131172) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid is Cc1nn(CC(C)C)c(C)c1CC(=O)O.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid?
The InChIKey is QRVMFOVTGOXUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)6-13-9(4)10(5-11(14)15)8(3)12-13/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid has a molecular weight of 210.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 7131172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).