1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

C25H29N5O4 — CID 134567837

IUPAC1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cccc(C(C)=O)c3)nn2-c2ccccc2)CO1
InChIInChI=1S/C25H29N5O4/c1-17-23(20-9-7-8-19(14-20)18(2)31)28-30(22-10-5-4-6-11-22)24(17)27-25(32)26-21-15-29(34-16-21)12-13-33-3/h4-11,14,21H,12-13,15-16H2,1-3H3,(H2,26,27,32)/t21-/m1/s1
InChIKeyJQLPNYPLQWOFKD-OAQYLSRUSA-N
MW463.54 g/mol
LogP3.43
Rot. Bonds8

About 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea (PubChem CID 134567837) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea.

Molecular Properties

Compound Name1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea
PubChem CID134567837
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cccc(C(C)=O)c3)nn2-c2ccccc2)CO1
InChIInChI=1S/C25H29N5O4/c1-17-23(20-9-7-8-19(14-20)18(2)31)28-30(22-10-5-4-6-11-22)24(17)27-25(32)26-21-15-29(34-16-21)12-13-33-3/h4-11,14,21H,12-13,15-16H2,1-3H3,(H2,26,27,32)/t21-/m1/s1
InChIKeyJQLPNYPLQWOFKD-OAQYLSRUSA-N
XLogP3.43
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 145229098
1-[(4R,5S)-2-(2-methoxyethyl)-5-methyl-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 135230313
1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea
CID 135230633
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 135230308
1-[(6S)-8-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)oxazocan-6-yl]-3-[4-methyl-3-(2-methylsulfonylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 145228590
1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1-phenylpyrazol-5-yl]urea
CID 135230685
1-[3-(2-cyclopropyloxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea
CID 135230723
N-cyclopropyl-3-fluoro-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxamide
CID 135230393
4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide
CID 137301394
1-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea
CID 135230740
1-[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(oxan-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]urea
CID 135230416
1-[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-(5,6-dimethoxy-3-pyridinyl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 135230783

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea?
The IUPAC name of 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea (CID 134567837) is 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea.
What is the SMILES notation for 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea?
The canonical SMILES for 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cccc(C(C)=O)c3)nn2-c2ccccc2)CO1.
What is the InChIKey of 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea?
The InChIKey is JQLPNYPLQWOFKD-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-17-23(20-9-7-8-19(14-20)18(2)31)28-30(22-10-5-4-6-11-22)24(17)27-25(32)26-21-15-29(34-16-21)12-13-33-3/h4-11,14,21H,12-13,15-16H2,1-3H3,(H2,26,27,32)/t21-/m1/s1.
What are the key properties of 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea?
1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea has a molecular weight of 463.54 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-acetylphenyl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea is sourced from PubChem (CID 134567837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).