N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide

C23H25N3O4 — CID 42923993

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESCc1c(NC(=O)c2ccccc2OCC2CCCO2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H25N3O4/c1-16-21(23(28)26(25(16)2)17-9-4-3-5-10-17)24-22(27)19-12-6-7-13-20(19)30-15-18-11-8-14-29-18/h3-7,9-10,12-13,18H,8,11,14-15H2,1-2H3,(H,24,27)
InChIKeyURZRYYGYYPVNHA-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.29
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42923993) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID42923993
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESCc1c(NC(=O)c2ccccc2OCC2CCCO2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H25N3O4/c1-16-21(23(28)26(25(16)2)17-9-4-3-5-10-17)24-22(27)19-12-6-7-13-20(19)30-15-18-11-8-14-29-18/h3-7,9-10,12-13,18H,8,11,14-15H2,1-2H3,(H,24,27)
InChIKeyURZRYYGYYPVNHA-UHFFFAOYSA-N
XLogP3.29
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide
CID 2533709
[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2533705
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 24535045
N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42959580
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 9466733
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide
CID 7283899
3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24686742
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 46445892

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide (CID 42923993) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide is Cc1c(NC(=O)c2ccccc2OCC2CCCO2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is URZRYYGYYPVNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-21(23(28)26(25(16)2)17-9-4-3-5-10-17)24-22(27)19-12-6-7-13-20(19)30-15-18-11-8-14-29-18/h3-7,9-10,12-13,18H,8,11,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 407.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42923993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).