N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C22H25N5O3 — CID 90068919

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCC1C=C(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)C(C)=N1
InChIInChI=1S/C22H25N5O3/c1-5-15-11-17(13(2)23-15)18-12-19(30-25-18)21(28)24-20-14(3)26(4)27(22(20)29)16-9-7-6-8-10-16/h6-11,15,19H,5,12H2,1-4H3,(H,24,28)
InChIKeyLQVVJZLSSFTUHP-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.75
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 90068919) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID90068919
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCC1C=C(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)C(C)=N1
InChIInChI=1S/C22H25N5O3/c1-5-15-11-17(13(2)23-15)18-12-19(30-25-18)21(28)24-20-14(3)26(4)27(22(20)29)16-9-7-6-8-10-16/h6-11,15,19H,5,12H2,1-4H3,(H,24,28)
InChIKeyLQVVJZLSSFTUHP-UHFFFAOYSA-N
XLogP2.75
TPSA89.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

(5R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642813
(2S,5R)-5-(aminomethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)oxolane-2-carboxamide
CID 120782529
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-2-carboxamide
CID 119669112
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 119261452
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089284
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592354
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2331096
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 121460770
6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 3548398

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 90068919) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCC1C=C(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)C(C)=N1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LQVVJZLSSFTUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-5-15-11-17(13(2)23-15)18-12-19(30-25-18)21(28)24-20-14(3)26(4)27(22(20)29)16-9-7-6-8-10-16/h6-11,15,19H,5,12H2,1-4H3,(H,24,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethyl-5-methyl-2H-pyrrol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90068919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).