4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

C24H35ClN4O2 — CID 1052179

IUPAC4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H35ClN4O2/c1-16(2)14-28(22(31)17-9-11-18(25)12-10-17)15-21(30)26-20-13-19(23(3,4)5)27-29(20)24(6,7)8/h9-13,16H,14-15H2,1-8H3,(H,26,30)
InChIKeyVKADMVNNSMDWKT-UHFFFAOYSA-N
MW447.02 g/mol
LogP5.33
Rot. Bonds6

About 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (PubChem CID 1052179) has the molecular formula C24H35ClN4O2 and a molecular weight of 447.02 g/mol. Its IUPAC name is 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
PubChem CID1052179
Molecular FormulaC24H35ClN4O2
Molecular Weight447.02 g/mol
Exact Mass446.24
IUPAC Name4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H35ClN4O2/c1-16(2)14-28(22(31)17-9-11-18(25)12-10-17)15-21(30)26-20-13-19(23(3,4)5)27-29(20)24(6,7)8/h9-13,16H,14-15H2,1-8H3,(H,26,30)
InChIKeyVKADMVNNSMDWKT-UHFFFAOYSA-N
XLogP5.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.02
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide with MolForge

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Related Compounds

N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 3434063
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-(3,4-dichlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 5137834
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42733896
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42734682
4-bromo-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4652701
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42734676
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide
CID 42733521
N-(1,3-ditert-butylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 1052181
4-tert-butyl-N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3525101
4-bromo-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3256656
N-butyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 42733222

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (CID 1052179) is 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is CC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is VKADMVNNSMDWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN4O2/c1-16(2)14-28(22(31)17-9-11-18(25)12-10-17)15-21(30)26-20-13-19(23(3,4)5)27-29(20)24(6,7)8/h9-13,16H,14-15H2,1-8H3,(H,26,30).
What are the key properties of 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 447.02 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1052179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).