4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid

C10H15N3O3 — CID 64780921

IUPAC4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
SMILESCN(C)C(=O)c1ccn(CCCC(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-12(2)10(16)8-5-7-13(11-8)6-3-4-9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXPMCMEKRDWAFPF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.45
Rot. Bonds5

About 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid

4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid (PubChem CID 64780921) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
PubChem CID64780921
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
SMILESCN(C)C(=O)c1ccn(CCCC(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-12(2)10(16)8-5-7-13(11-8)6-3-4-9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXPMCMEKRDWAFPF-UHFFFAOYSA-N
XLogP0.45
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64777811
methyl 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoate
CID 64781303
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 64781114
4-[3-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-1-yl]butanoic acid
CID 122171650
1-[2-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]triazole-4-carboxylic acid
CID 64777982
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19623624
2-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 80997392
6-(3-iodopyrazol-1-yl)hexanoic acid
CID 79787121
3-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64781113
5-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64780729
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64781304

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid (CID 64780921) is 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid is CN(C)C(=O)c1ccn(CCCC(=O)O)n1.
What is the InChIKey of 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid?
The InChIKey is XPMCMEKRDWAFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12(2)10(16)8-5-7-13(11-8)6-3-4-9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid?
4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 64780921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).