N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide

C22H23N3O4 — CID 154565232

IUPACN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O4/c26-14-20-21(27)17(11-12-29-20)23-22(28)19-13-18(15-7-3-1-4-8-15)24-25(19)16-9-5-2-6-10-16/h1-10,13,17,20-21,26-27H,11-12,14H2,(H,23,28)/t17-,20+,21-/m0/s1
InChIKeyAWGAKCVFERLCSY-WMQCIHAUSA-N
MW393.44 g/mol
LogP1.78
Rot. Bonds5

About N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide

N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 154565232) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID154565232
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O4/c26-14-20-21(27)17(11-12-29-20)23-22(28)19-13-18(15-7-3-1-4-8-15)24-25(19)16-9-5-2-6-10-16/h1-10,13,17,20-21,26-27H,11-12,14H2,(H,23,28)/t17-,20+,21-/m0/s1
InChIKeyAWGAKCVFERLCSY-WMQCIHAUSA-N
XLogP1.78
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 167921002
3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 7211160
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170507657
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 155940223
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 98297174
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 98297172
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 154823440
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide (CID 154565232) is N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide is O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is AWGAKCVFERLCSY-WMQCIHAUSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-14-20-21(27)17(11-12-29-20)23-22(28)19-13-18(15-7-3-1-4-8-15)24-25(19)16-9-5-2-6-10-16/h1-10,13,17,20-21,26-27H,11-12,14H2,(H,23,28)/t17-,20+,21-/m0/s1.
What are the key properties of N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide?
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 154565232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).