5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide

C24H24N6O3 — CID 52948828

IUPAC5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccc1C
InChIInChI=1S/C24H24N6O3/c1-4-25-22-18(14-26-30(22)20-8-6-5-7-16(20)3)24(32)27-19-13-17(10-9-15(19)2)23(31)28-21-11-12-33-29-21/h5-14,25H,4H2,1-3H3,(H,27,32)(H,28,29,31)
InChIKeyFGTZYTGZDSNOMS-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.41
Rot. Bonds7

About 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide

5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 52948828) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID52948828
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccc1C
InChIInChI=1S/C24H24N6O3/c1-4-25-22-18(14-26-30(22)20-8-6-5-7-16(20)3)24(32)27-19-13-17(10-9-15(19)2)23(31)28-21-11-12-33-29-21/h5-14,25H,4H2,1-3H3,(H,27,32)(H,28,29,31)
InChIKeyFGTZYTGZDSNOMS-UHFFFAOYSA-N
XLogP4.41
TPSA114.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 52948828) is 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide is CCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccc1C.
What is the InChIKey of 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is FGTZYTGZDSNOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-4-25-22-18(14-26-30(22)20-8-6-5-7-16(20)3)24(32)27-19-13-17(10-9-15(19)2)23(31)28-21-11-12-33-29-21/h5-14,25H,4H2,1-3H3,(H,27,32)(H,28,29,31).
What are the key properties of 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 52948828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).