ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate

C22H24N4O5 — CID 16749454

IUPACethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)Nc1ccccc1OC
InChIInChI=1S/C22H24N4O5/c1-3-31-21(28)16-13-23-26(14-18(27)15-9-5-4-6-10-15)20(16)25-22(29)24-17-11-7-8-12-19(17)30-2/h4-13,18,27H,3,14H2,1-2H3,(H2,24,25,29)
InChIKeyQMVBYGGVSZBDLA-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.45
Rot. Bonds8

About ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate

ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate (PubChem CID 16749454) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate
PubChem CID16749454
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Nameethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)Nc1ccccc1OC
InChIInChI=1S/C22H24N4O5/c1-3-31-21(28)16-13-23-26(14-18(27)15-9-5-4-6-10-15)20(16)25-22(29)24-17-11-7-8-12-19(17)30-2/h4-13,18,27H,3,14H2,1-2H3,(H2,24,25,29)
InChIKeyQMVBYGGVSZBDLA-UHFFFAOYSA-N
XLogP3.45
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749230
ethyl 5-[(4-fluorobenzoyl)amino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 164510641
ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211122
ethyl 5-[(3-fluorobenzoyl)amino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 164510725
ethyl 5-[(4-benzylpiperazin-1-yl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 68899241
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
ethyl 5-amino-1-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrazole-4-carboxylate
CID 23655881
1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176489
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2895646
1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2544645
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate (CID 16749454) is ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)Nc1ccccc1OC.
What is the InChIKey of ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate?
The InChIKey is QMVBYGGVSZBDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-3-31-21(28)16-13-23-26(14-18(27)15-9-5-4-6-10-15)20(16)25-22(29)24-17-11-7-8-12-19(17)30-2/h4-13,18,27H,3,14H2,1-2H3,(H2,24,25,29).
What are the key properties of ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate?
ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate is sourced from PubChem (CID 16749454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).