5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide

C22H20N6O3 — CID 52943915

IUPAC5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C22H20N6O3/c1-14-8-9-15(21(29)26-19-10-11-31-27-19)12-18(14)25-22(30)17-13-24-28(20(17)23-2)16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyVJEIRWRVFCVZSA-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.72
Rot. Bonds6

About 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide

5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 52943915) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID52943915
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C22H20N6O3/c1-14-8-9-15(21(29)26-19-10-11-31-27-19)12-18(14)25-22(30)17-13-24-28(20(17)23-2)16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,25,30)(H,26,27,29)
InChIKeyVJEIRWRVFCVZSA-UHFFFAOYSA-N
XLogP3.72
TPSA114.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 46943424
5-amino-1-(2-fluorophenyl)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 49838879
4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002975
4-(4-Morpholinylamino)benzoic acid
CID 16730109
3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 25118573
5-(ethylamino)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-o-tolyl-1H-pyrazole-4-carboxamide
CID 52948828
N-(5-methyl-3-isoxazolyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811261
N-Ethyl-4-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide
CID 10319912
5-amino-N-(5-(1-ethyl-1H-pyrazol-5-ylcarbamoyl)-2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52941332
5-amino-1-(2-fluorophenyl)-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
CID 52941458
5-amino-1-butyl-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
CID 52942431
5-amino-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxamide
CID 52943788

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide (CID 52943915) is 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide is CNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccc1.
What is the InChIKey of 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is VJEIRWRVFCVZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-14-8-9-15(21(29)26-19-10-11-31-27-19)12-18(14)25-22(30)17-13-24-28(20(17)23-2)16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,25,30)(H,26,27,29).
What are the key properties of 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide?
5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 52943915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).