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

C7H11ClN2O2 — CID 155858282

IUPAC2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)c1cn[nH]c1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-7(2,6(10)11)5-3-8-9-4-5;/h3-4H,1-2H3,(H,8,9)(H,10,11);1H
InChIKeyROHFEYGSIQFXRU-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.19
Rot. Bonds2

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

2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride (PubChem CID 155858282) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride
PubChem CID155858282
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)c1cn[nH]c1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-7(2,6(10)11)5-3-8-9-4-5;/h3-4H,1-2H3,(H,8,9)(H,10,11);1H
InChIKeyROHFEYGSIQFXRU-UHFFFAOYSA-N
XLogP1.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Ethyl 2-(1H-pyrazol-4-yl)acetate
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2-oxo-2-(1H-pyrazol-4-yl)acetic acid
CID 82418285
2,2-Difluoro-2-(1H-pyrazol-4-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride (CID 155858282) is 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride is CC(C)(C(=O)O)c1cn[nH]c1.Cl.
What is the InChIKey of 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride?
The InChIKey is ROHFEYGSIQFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-7(2,6(10)11)5-3-8-9-4-5;/h3-4H,1-2H3,(H,8,9)(H,10,11);1H.
What are the key properties of 2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride?
2-methyl-2-(1H-pyrazol-4-yl)propanoic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 1.19, 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;hydrochloride is sourced from PubChem (CID 155858282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).