2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid

C9H15N3O2 — CID 82398984

IUPAC2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid
SMILESCN(C)c1cc(C(C)(C)C(=O)O)[nH]n1
InChIInChI=1S/C9H15N3O2/c1-9(2,8(13)14)6-5-7(11-10-6)12(3)4/h5H,1-4H3,(H,10,11)(H,13,14)
InChIKeyIGVOIIGCFNOPMD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.84
Rot. Bonds3

About 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid

2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid (PubChem CID 82398984) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid
PubChem CID82398984
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid
SMILESCN(C)c1cc(C(C)(C)C(=O)O)[nH]n1
InChIInChI=1S/C9H15N3O2/c1-9(2,8(13)14)6-5-7(11-10-6)12(3)4/h5H,1-4H3,(H,10,11)(H,13,14)
InChIKeyIGVOIIGCFNOPMD-UHFFFAOYSA-N
XLogP0.84
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid (CID 82398984) is 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid is CN(C)c1cc(C(C)(C)C(=O)O)[nH]n1.
What is the InChIKey of 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid?
The InChIKey is IGVOIIGCFNOPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,8(13)14)6-5-7(11-10-6)12(3)4/h5H,1-4H3,(H,10,11)(H,13,14).
What are the key properties of 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid?
2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-1H-pyrazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 82398984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).