ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate

C18H24N4O4 — CID 16748483

IUPACethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)NC(C)C
InChIInChI=1S/C18H24N4O4/c1-4-26-17(24)14-10-19-22(16(14)21-18(25)20-12(2)3)11-15(23)13-8-6-5-7-9-13/h5-10,12,15,23H,4,11H2,1-3H3,(H2,20,21,25)
InChIKeyRXBGNQVESFBRNB-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.32
Rot. Bonds7

About ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate

ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate (PubChem CID 16748483) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate
PubChem CID16748483
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nameethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)NC(C)C
InChIInChI=1S/C18H24N4O4/c1-4-26-17(24)14-10-19-22(16(14)21-18(25)20-12(2)3)11-15(23)13-8-6-5-7-9-13/h5-10,12,15,23H,4,11H2,1-3H3,(H2,20,21,25)
InChIKeyRXBGNQVESFBRNB-UHFFFAOYSA-N
XLogP2.32
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate
CID 25211028
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211029
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211116
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate
CID 25211121
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211122
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211212
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211213
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211214
Ethyl 5-[(4-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211215
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25190987
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 44574417
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylate
CID 44574652

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate (CID 16748483) is ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)NC(C)C.
What is the InChIKey of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate?
The InChIKey is RXBGNQVESFBRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-4-26-17(24)14-10-19-22(16(14)21-18(25)20-12(2)3)11-15(23)13-8-6-5-7-9-13/h5-10,12,15,23H,4,11H2,1-3H3,(H2,20,21,25).
What are the key properties of ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate?
ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 16748483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).