3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid

C10H15N3O3 — CID 64781304

IUPAC3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C10H15N3O3/c1-7(6-9(14)15)13-5-4-8(11-13)10(16)12(2)3/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyCTNPXKHMUYJVHQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.62
Rot. Bonds4

About 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid

3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid (PubChem CID 64781304) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
PubChem CID64781304
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C10H15N3O3/c1-7(6-9(14)15)13-5-4-8(11-13)10(16)12(2)3/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyCTNPXKHMUYJVHQ-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781879
3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119232438
4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64779954
5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64777811
4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64780921
methyl 5-[1-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]furan-2-carboxylate
CID 79085827
ethyl 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoate
CID 64777790
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 64781114
1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide
CID 64779947
ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate
CID 64779746
ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
CID 96539757

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid (CID 64781304) is 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid is CC(CC(=O)O)n1ccc(C(=O)N(C)C)n1.
What is the InChIKey of 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid?
The InChIKey is CTNPXKHMUYJVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(6-9(14)15)13-5-4-8(11-13)10(16)12(2)3/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid?
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 64781304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).