2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C18H24N6O5 — CID 19489858

IUPAC2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCn1cc(NC(=O)C(C)n2nccc2C(=O)O)c(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H24N6O5/c1-3-23-10-13(15(22-23)17(26)19-9-12-5-4-8-29-12)21-16(25)11(2)24-14(18(27)28)6-7-20-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,26)(H,21,25)(H,27,28)
InChIKeyICPNCGPMBHGLCN-UHFFFAOYSA-N
MW404.43 g/mol
LogP0.91
Rot. Bonds8

About 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19489858) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19489858
Molecular FormulaC18H24N6O5
Molecular Weight404.43 g/mol
Exact Mass404.18
IUPAC Name2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCn1cc(NC(=O)C(C)n2nccc2C(=O)O)c(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H24N6O5/c1-3-23-10-13(15(22-23)17(26)19-9-12-5-4-8-29-12)21-16(25)11(2)24-14(18(27)28)6-7-20-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,26)(H,21,25)(H,27,28)
InChIKeyICPNCGPMBHGLCN-UHFFFAOYSA-N
XLogP0.91
TPSA140.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491922
2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489814
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
2-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489660
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 124852947
2-[1-(butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489815
2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489817
2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622066
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 19532088
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101082

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19489858) is 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is CCn1cc(NC(=O)C(C)n2nccc2C(=O)O)c(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is ICPNCGPMBHGLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O5/c1-3-23-10-13(15(22-23)17(26)19-9-12-5-4-8-29-12)21-16(25)11(2)24-14(18(27)28)6-7-20-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,26)(H,21,25)(H,27,28).
What are the key properties of 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 404.43 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19489858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).