2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C18H22N8O4 — CID 19487755

IUPAC2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ncc(NC(=O)c2ccnn2C(C)C(=O)O)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C18H22N8O4/c1-5-25-15(17(28)22-12-8-20-24(4)10(12)2)13(9-21-25)23-16(27)14-6-7-19-26(14)11(3)18(29)30/h6-9,11H,5H2,1-4H3,(H,22,28)(H,23,27)(H,29,30)
InChIKeyIHICYAOYHYIZHN-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.29
Rot. Bonds7

About 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19487755) has the molecular formula C18H22N8O4 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19487755
Molecular FormulaC18H22N8O4
Molecular Weight414.43 g/mol
Exact Mass414.18
IUPAC Name2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ncc(NC(=O)c2ccnn2C(C)C(=O)O)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C18H22N8O4/c1-5-25-15(17(28)22-12-8-20-24(4)10(12)2)13(9-21-25)23-16(27)14-6-7-19-26(14)11(3)18(29)30/h6-9,11H,5H2,1-4H3,(H,22,28)(H,23,27)(H,29,30)
InChIKeyIHICYAOYHYIZHN-UHFFFAOYSA-N
XLogP1.29
TPSA148.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487704
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352
2-[5-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19485920
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(1-ethylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 19262390
4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19570564
4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262928
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19339776
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559513

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19487755) is 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CCn1ncc(NC(=O)c2ccnn2C(C)C(=O)O)c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is IHICYAOYHYIZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O4/c1-5-25-15(17(28)22-12-8-20-24(4)10(12)2)13(9-21-25)23-16(27)14-6-7-19-26(14)11(3)18(29)30/h6-9,11H,5H2,1-4H3,(H,22,28)(H,23,27)(H,29,30).
What are the key properties of 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 414.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19487755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).