3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid

C9H13N3O3 — CID 71429717

IUPAC3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid
SMILESCc1nn(C(N)=O)c(C)c1CCC(=O)O
InChIInChI=1S/C9H13N3O3/c1-5-7(3-4-8(13)14)6(2)12(11-5)9(10)15/h3-4H2,1-2H3,(H2,10,15)(H,13,14)
InChIKeyGPOYCBVVXQGTFB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.44
Rot. Bonds3

About 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid

3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid (PubChem CID 71429717) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid
PubChem CID71429717
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid
SMILESCc1nn(C(N)=O)c(C)c1CCC(=O)O
InChIInChI=1S/C9H13N3O3/c1-5-7(3-4-8(13)14)6(2)12(11-5)9(10)15/h3-4H2,1-2H3,(H2,10,15)(H,13,14)
InChIKeyGPOYCBVVXQGTFB-UHFFFAOYSA-N
XLogP0.44
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
3-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 43542554
3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid
CID 105499204
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid;hydrochloride
CID 126459972
3-[1-[(2-hydroxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 115069748
3-[1-(2-ethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 82093393
3-[3,5-dimethyl-1-(4-phenylphenyl)pyrazol-4-yl]propanoic acid
CID 97036198
3-(2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 24698276
3-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 82093389
3-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16789231
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536

Frequently Asked Questions

What is the IUPAC name of 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid (CID 71429717) is 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid is Cc1nn(C(N)=O)c(C)c1CCC(=O)O.
What is the InChIKey of 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid?
The InChIKey is GPOYCBVVXQGTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-7(3-4-8(13)14)6(2)12(11-5)9(10)15/h3-4H2,1-2H3,(H2,10,15)(H,13,14).
What are the key properties of 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid?
3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 71429717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).