3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C18H24N6O5 — CID 19491922

IUPAC3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(NC(=O)c2ccnn2CCC(=O)O)c(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H24N6O5/c1-2-23-11-13(16(22-23)18(28)19-10-12-4-3-9-29-12)21-17(27)14-5-7-20-24(14)8-6-15(25)26/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,19,28)(H,21,27)(H,25,26)
InChIKeyOALDFBDXFBBOER-UHFFFAOYSA-N
MW404.43 g/mol
LogP0.74
Rot. Bonds9

About 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491922) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19491922
Molecular FormulaC18H24N6O5
Molecular Weight404.43 g/mol
Exact Mass404.18
IUPAC Name3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(NC(=O)c2ccnn2CCC(=O)O)c(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H24N6O5/c1-2-23-11-13(16(22-23)18(28)19-10-12-4-3-9-29-12)21-17(27)14-5-7-20-24(14)8-6-15(25)26/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,19,28)(H,21,27)(H,25,26)
InChIKeyOALDFBDXFBBOER-UHFFFAOYSA-N
XLogP0.74
TPSA140.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489858
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548374
3-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471418
4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 4167409
4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319
4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 132586585
2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19506994
1-ethyl-N-(2-methylpropyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570015
3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490105
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19491922) is 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CCn1cc(NC(=O)c2ccnn2CCC(=O)O)c(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is OALDFBDXFBBOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O5/c1-2-23-11-13(16(22-23)18(28)19-10-12-4-3-9-29-12)21-17(27)14-5-7-20-24(14)8-6-15(25)26/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,19,28)(H,21,27)(H,25,26).
What are the key properties of 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 404.43 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).