2-methyl-2-(1H-pyrazol-4-yl)propanoic acid

C7H10N2O2 — CID 105430059

IUPAC2-methyl-2-(1H-pyrazol-4-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cn[nH]c1
InChIInChI=1S/C7H10N2O2/c1-7(2,6(10)11)5-3-8-9-4-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyOBHNSVULCNGRFF-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.77
Rot. Bonds2

About 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid

2-methyl-2-(1H-pyrazol-4-yl)propanoic acid (PubChem CID 105430059) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1H-pyrazol-4-yl)propanoic acid
PubChem CID105430059
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-methyl-2-(1H-pyrazol-4-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cn[nH]c1
InChIInChI=1S/C7H10N2O2/c1-7(2,6(10)11)5-3-8-9-4-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyOBHNSVULCNGRFF-UHFFFAOYSA-N
XLogP0.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrazol-4-yl)acetic acid hydrochloride
CID 127255517
Methyl 2-(1H-pyrazol-4-yl)acetate hydrochloride
CID 146026756
2-(1H-pyrazol-4-yl)acetic acid
CID 20555351
Ethyl 2,2-difluoro-2-(1H-pyrazol-4-yl)acetate
CID 100023856
2-methyl-2-(1H-pyrazol-4-yl)propanoic acid hydrochloride
CID 155858282
1-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid hydrochloride
CID 165926059
2,2-difluoro-2-(1H-pyrazol-4-yl)acetic acid hydrochloride
CID 170915940
Ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345
2-oxo-2-(1H-pyrazol-4-yl)acetic acid
CID 82418285
2,2-Difluoro-2-(1H-pyrazol-4-yl)acetic acid
CID 84716820
2-(5-fluoro-1H-pyrazol-4-yl)acetic acid
CID 115011582
2,2-difluoro-1-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 165843054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid (CID 105430059) is 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid is CC(C)(C(=O)O)c1cn[nH]c1.
What is the InChIKey of 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid?
The InChIKey is OBHNSVULCNGRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7(2,6(10)11)5-3-8-9-4-5/h3-4H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid?
2-methyl-2-(1H-pyrazol-4-yl)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 105430059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).