ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate

C18H24N4O3 — CID 42194625

IUPACethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C
InChIInChI=1S/C18H24N4O3/c1-5-25-17(23)11-19-18(24)21-13(3)15-10-20-22(14(15)4)16-9-7-6-8-12(16)2/h6-10,13H,5,11H2,1-4H3,(H2,19,21,24)/t13-/m0/s1
InChIKeyRISWSYARLVXNBE-ZDUSSCGKSA-N
MW344.42 g/mol
LogP2.41
Rot. Bonds6

About ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate

ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate (PubChem CID 42194625) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
PubChem CID42194625
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C
InChIInChI=1S/C18H24N4O3/c1-5-25-17(23)11-19-18(24)21-13(3)15-10-20-22(14(15)4)16-9-7-6-8-12(16)2/h6-10,13H,5,11H2,1-4H3,(H2,19,21,24)/t13-/m0/s1
InChIKeyRISWSYARLVXNBE-ZDUSSCGKSA-N
XLogP2.41
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]carbamoylamino]acetate
CID 42193857
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CID 26332266
1-(2-fluorophenyl)-3-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 42558008
ethyl 2,4-dimethyl-5-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 25385672
1-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-(4-methylsulfanylphenyl)urea
CID 45197403
ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 60638891
1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 42591847
1-ethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 45191349
2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97149895
2-methoxy-N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]pyrimidine-5-carboxamide
CID 97153776
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
CID 25280345
2-(benzimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate (CID 42194625) is ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate is CCOC(=O)CNC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C.
What is the InChIKey of ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate?
The InChIKey is RISWSYARLVXNBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-25-17(23)11-19-18(24)21-13(3)15-10-20-22(14(15)4)16-9-7-6-8-12(16)2/h6-10,13H,5,11H2,1-4H3,(H2,19,21,24)/t13-/m0/s1.
What are the key properties of ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate?
ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate has a molecular weight of 344.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate is sourced from PubChem (CID 42194625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).