N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide

C26H30ClFN4O2 — CID 42734682

IUPACN-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C26H30ClFN4O2/c1-17(2)15-31(25(34)20-8-6-7-9-21(20)28)16-24(33)29-23-14-22(26(3,4)5)30-32(23)19-12-10-18(27)11-13-19/h6-14,17H,15-16H2,1-5H3,(H,29,33)
InChIKeyIIHKAWUPPLZKHH-UHFFFAOYSA-N
MW485.00 g/mol
LogP5.70
Rot. Bonds7

About N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide

N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 42734682) has the molecular formula C26H30ClFN4O2 and a molecular weight of 485.00 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
PubChem CID42734682
Molecular FormulaC26H30ClFN4O2
Molecular Weight485.00 g/mol
Exact Mass484.20
IUPAC NameN-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C26H30ClFN4O2/c1-17(2)15-31(25(34)20-8-6-7-9-21(20)28)16-24(33)29-23-14-22(26(3,4)5)30-32(23)19-12-10-18(27)11-13-19/h6-14,17H,15-16H2,1-5H3,(H,29,33)
InChIKeyIIHKAWUPPLZKHH-UHFFFAOYSA-N
XLogP5.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.00
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42733207
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42734676
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(3-chlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4009393
N-[2-[[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 5137834
2-[benzylcarbamoyl(3-methylbutyl)amino]-N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]acetamide
CID 4297758
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42734072
4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1052179
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(3-fluorophenyl)carbamoyl-(3-methylbutyl)amino]acetamide
CID 4531392
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide
CID 4636907
N-[2-[[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42733461
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 3434063
2-bromo-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3631284

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide (CID 42734682) is N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)c1ccccc1F.
What is the InChIKey of N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is IIHKAWUPPLZKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN4O2/c1-17(2)15-31(25(34)20-8-6-7-9-21(20)28)16-24(33)29-23-14-22(26(3,4)5)30-32(23)19-12-10-18(27)11-13-19/h6-14,17H,15-16H2,1-5H3,(H,29,33).
What are the key properties of N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide?
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 485.00 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42734682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).