2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid

C8H12N2O2 — CID 105433764

IUPAC2-methyl-2-(1-methylpyrazol-3-yl)propanoic acid
SMILESCC(C)(C1=NN(C=C1)C)C(=O)O
InChIInChI=1S/C8H12N2O2/c1-8(2,7(11)12)6-4-5-10(3)9-6/h4-5H,1-3H3,(H,11,12)
InChIKeyWDSKWGVIEZTCJA-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.70
Rot. Bonds2

About 2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid

2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid (PubChem CID 105433764) has the molecular formula C8H12N2O2 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid
PubChem CID105433764
Molecular FormulaC8H12N2O2
Molecular Weight168.19 g/mol
Exact Mass168.09
IUPAC Name2-methyl-2-(1-methylpyrazol-3-yl)propanoic acid
SMILESCC(C)(C1=NN(C=C1)C)C(=O)O
InChIInChI=1S/C8H12N2O2/c1-8(2,7(11)12)6-4-5-10(3)9-6/h4-5H,1-3H3,(H,11,12)
InChIKeyWDSKWGVIEZTCJA-UHFFFAOYSA-N
XLogP0.70
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity191

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
methyl 2-(1-methyl-1H-pyrazol-3-yl)acetate
CID 13269736
(1-methyl-1H-pyrazol-3-yl)acetic acid
CID 13374526
2-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]acetic acid
CID 50896678
2-(1-Isopropyl-1H-pyrazol-5-yl)acetic acid
CID 50896683
2-(1-methyl-1H-pyrazol-5-yl)acetic acid
CID 50896807
1H-Pyrazole-3-acetic acid, 1-(difluoromethyl)-
CID 66509397
2-(1-methyl-1H-pyrazol-3-yl)acetic acid hydrochloride
CID 71306210
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-4-carboxylic acid
CID 83815901
2-(1-ethyl-1H-pyrazol-3-yl)acetic acid
CID 25248194
2-(1-cyclopentyl-1H-pyrazol-3-yl)acetic acid
CID 50896677
2-(4-bromo-1-methyl-1H-pyrazol-3-yl)acetic acid
CID 60136497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid (CID 105433764) is 2-methyl-2-(1-methylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid is CC(C)(C1=NN(C=C1)C)C(=O)O.
What is the InChIKey of 2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid?
The InChIKey is WDSKWGVIEZTCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,7(11)12)6-4-5-10(3)9-6/h4-5H,1-3H3,(H,11,12).
What are the key properties of 2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid?
2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid has a molecular weight of 168.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methyl-1H-pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 105433764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).