2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C18H24N6O4 — CID 19485722

IUPAC2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H24N6O4/c1-2-23-10-13(16(22-23)17(26)20-12-6-4-3-5-7-12)21-15(25)11-24-14(18(27)28)8-9-19-24/h8-10,12H,2-7,11H2,1H3,(H,20,26)(H,21,25)(H,27,28)
InChIKeyDTKJBSLNWLLEAD-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.50
Rot. Bonds7

About 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485722) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485722
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC Name2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H24N6O4/c1-2-23-10-13(16(22-23)17(26)20-12-6-4-3-5-7-12)21-15(25)11-24-14(18(27)28)8-9-19-24/h8-10,12H,2-7,11H2,1H3,(H,20,26)(H,21,25)(H,27,28)
InChIKeyDTKJBSLNWLLEAD-UHFFFAOYSA-N
XLogP1.50
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic 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-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485720
N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
CID 19585684
(2R,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619006
(2S,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619004
(1S,2S,3S,4R)-3-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 40619020
(1S,2S,3R,4S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98293473
(1R,2S,3S,4S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51423416
(1S,2S,3S,4R)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 27526470
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489858
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792
3-[5-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491922

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485722) is 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is CCn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is DTKJBSLNWLLEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-2-23-10-13(16(22-23)17(26)20-12-6-4-3-5-7-12)21-15(25)11-24-14(18(27)28)8-9-19-24/h8-10,12H,2-7,11H2,1H3,(H,20,26)(H,21,25)(H,27,28).
What are the key properties of 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 388.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).