N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C24H27N5O3 — CID 56531427

IUPACN-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)n(-c2ccccn2)n1
InChIInChI=1S/C24H27N5O3/c1-24(2,3)19-14-21(29(28-19)20-9-4-5-12-25-20)27-22(30)15-32-18-8-6-7-17(13-18)26-23(31)16-10-11-16/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyWUMIRLLAGIETHD-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.93
Rot. Bonds7

About N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 56531427) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID56531427
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)n(-c2ccccn2)n1
InChIInChI=1S/C24H27N5O3/c1-24(2,3)19-14-21(29(28-19)20-9-4-5-12-25-20)27-22(30)15-32-18-8-6-7-17(13-18)26-23(31)16-10-11-16/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyWUMIRLLAGIETHD-UHFFFAOYSA-N
XLogP3.93
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56531740
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56550479
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide
CID 95279930
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56531345
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 46546333
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 56531427) is N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CC(C)(C)c1cc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)n(-c2ccccn2)n1.
What is the InChIKey of N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is WUMIRLLAGIETHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-24(2,3)19-14-21(29(28-19)20-9-4-5-12-25-20)27-22(30)15-32-18-8-6-7-17(13-18)26-23(31)16-10-11-16/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 56531427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).