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

C20H22N6O3 — CID 121460770

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3cn(C)n(-c4ccccc4)c3=O)C2)c(C)n1
InChIInChI=1S/C20H22N6O3/c1-4-25-11-15(13(2)22-25)16-10-18(29-23-16)19(27)21-17-12-24(3)26(20(17)28)14-8-6-5-7-9-14/h5-9,11-12,18H,4,10H2,1-3H3,(H,21,27)
InChIKeyAITYVGLBGWZUJD-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.83
Rot. Bonds5

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

3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 121460770) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID121460770
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3cn(C)n(-c4ccccc4)c3=O)C2)c(C)n1
InChIInChI=1S/C20H22N6O3/c1-4-25-11-15(13(2)22-25)16-10-18(29-23-16)19(27)21-17-12-24(3)26(20(17)28)14-8-6-5-7-9-14/h5-9,11-12,18H,4,10H2,1-3H3,(H,21,27)
InChIKeyAITYVGLBGWZUJD-UHFFFAOYSA-N
XLogP1.83
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495821
N-(2,5-difluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17026382
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 123920353
(5S)-N-(5-chloro-2-hydroxyphenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40504816
3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095979
N-(3-chloro-4-methylphenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495879
[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 17095989
3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495805
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642728
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642816
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495823

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 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) is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(C2=NOC(C(=O)Nc3cn(C)n(-c4ccccc4)c3=O)C2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is AITYVGLBGWZUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-4-25-11-15(13(2)22-25)16-10-18(29-23-16)19(27)21-17-12-24(3)26(20(17)28)14-8-6-5-7-9-14/h5-9,11-12,18H,4,10H2,1-3H3,(H,21,27).
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121460770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).