N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide

C24H34N4O2 — CID 1067325

IUPACN-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H34N4O2/c1-17-11-13-19(14-12-17)28-21(15-20(26-28)24(2,3)4)25-22(29)16-27(5)23(30)18-9-7-6-8-10-18/h11-15,18H,6-10,16H2,1-5H3,(H,25,29)
InChIKeyAHRRCULFHKQWHK-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.46
Rot. Bonds5

About N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide

N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide (PubChem CID 1067325) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide
PubChem CID1067325
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H34N4O2/c1-17-11-13-19(14-12-17)28-21(15-20(26-28)24(2,3)4)25-22(29)16-27(5)23(30)18-9-7-6-8-10-18/h11-15,18H,6-10,16H2,1-5H3,(H,25,29)
InChIKeyAHRRCULFHKQWHK-UHFFFAOYSA-N
XLogP4.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 42734787
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide
CID 42734102
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide
CID 42734726
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide
CID 42734752
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)cyclohexanecarboxamide
CID 4648754
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-pentylcyclobutanecarboxamide
CID 5040658
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[[2-(4-chlorophenoxy)acetyl]-methylamino]acetamide
CID 42734729
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide
CID 42734793
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylcyclohexanecarboxamide
CID 42732166

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide (CID 1067325) is N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide?
The InChIKey is AHRRCULFHKQWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-17-11-13-19(14-12-17)28-21(15-20(26-28)24(2,3)4)25-22(29)16-27(5)23(30)18-9-7-6-8-10-18/h11-15,18H,6-10,16H2,1-5H3,(H,25,29).
What are the key properties of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide?
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.46, 5 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-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 1067325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).