1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid

C13H19N3O3 — CID 61488739

IUPAC1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCCN(C(=O)Cn1nc(C)c(C(=O)O)c1C)C1CC1
InChIInChI=1S/C13H19N3O3/c1-4-15(10-5-6-10)11(17)7-16-9(3)12(13(18)19)8(2)14-16/h10H,4-7H2,1-3H3,(H,18,19)
InChIKeyAJWWQHSTZNFGJS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.21
Rot. Bonds5

About 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid

1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 61488739) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID61488739
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCCN(C(=O)Cn1nc(C)c(C(=O)O)c1C)C1CC1
InChIInChI=1S/C13H19N3O3/c1-4-15(10-5-6-10)11(17)7-16-9(3)12(13(18)19)8(2)14-16/h10H,4-7H2,1-3H3,(H,18,19)
InChIKeyAJWWQHSTZNFGJS-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid (CID 61488739) is 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid is CCN(C(=O)Cn1nc(C)c(C(=O)O)c1C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is AJWWQHSTZNFGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-15(10-5-6-10)11(17)7-16-9(3)12(13(18)19)8(2)14-16/h10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid?
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 61488739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).