3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid

C10H15N3O4 — CID 64781114

IUPAC3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid
SMILESCN(C)C(=O)c1ccn(CC(C)(O)C(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-10(17,9(15)16)6-13-5-4-7(11-13)8(14)12(2)3/h4-5,17H,6H2,1-3H3,(H,15,16)
InChIKeyVYFGFIMYKROWMS-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.58
Rot. Bonds4

About 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid

3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid (PubChem CID 64781114) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid
PubChem CID64781114
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid
SMILESCN(C)C(=O)c1ccn(CC(C)(O)C(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-10(17,9(15)16)6-13-5-4-7(11-13)8(14)12(2)3/h4-5,17H,6H2,1-3H3,(H,15,16)
InChIKeyVYFGFIMYKROWMS-UHFFFAOYSA-N
XLogP-0.58
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64777811
4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64780921
2-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 80997392
1-[1-(2,2-dimethylpropyl)pyrazol-3-yl]ethanone
CID 123550160
methyl 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoate
CID 64781303
1-[2-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]triazole-4-carboxylic acid
CID 64777982
5-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64780729
3-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64781113
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64781304
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64781499
ethyl 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]-3-hydroxybutanoate
CID 82778571
4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one
CID 68845574

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid (CID 64781114) is 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid is CN(C)C(=O)c1ccn(CC(C)(O)C(=O)O)n1.
What is the InChIKey of 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is VYFGFIMYKROWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(17,9(15)16)6-13-5-4-7(11-13)8(14)12(2)3/h4-5,17H,6H2,1-3H3,(H,15,16).
What are the key properties of 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid?
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 64781114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).