N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide

C18H21N3O4 — CID 941659

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide
SMILESCc1c(NC(=O)C[C@@H]2C[C@H](C)OC2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H21N3O4/c1-11-9-13(18(24)25-11)10-15(22)19-16-12(2)20(3)21(17(16)23)14-7-5-4-6-8-14/h4-8,11,13H,9-10H2,1-3H3,(H,19,22)/t11-,13-/m0/s1
InChIKeyIGDNFLNDOAIBOD-AAEUAGOBSA-N
MW343.38 g/mol
LogP1.76
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide (PubChem CID 941659) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide
PubChem CID941659
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide
SMILESCc1c(NC(=O)C[C@@H]2C[C@H](C)OC2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H21N3O4/c1-11-9-13(18(24)25-11)10-15(22)19-16-12(2)20(3)21(17(16)23)14-7-5-4-6-8-14/h4-8,11,13H,9-10H2,1-3H3,(H,19,22)/t11-,13-/m0/s1
InChIKeyIGDNFLNDOAIBOD-AAEUAGOBSA-N
XLogP1.76
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide (CID 941659) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide is Cc1c(NC(=O)C[C@@H]2C[C@H](C)OC2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide?
The InChIKey is IGDNFLNDOAIBOD-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-9-13(18(24)25-11)10-15(22)19-16-12(2)20(3)21(17(16)23)14-7-5-4-6-8-14/h4-8,11,13H,9-10H2,1-3H3,(H,19,22)/t11-,13-/m0/s1.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.76, 4 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-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 941659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).