N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C24H34N4O2 — CID 112830966

IUPACN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(C(=O)C(C)C)CC2)c1
InChIInChI=1S/C24H34N4O2/c1-16(2)23(30)27-12-10-18(11-13-27)22(29)25-21-15-20(24(4,5)6)26-28(21)19-9-7-8-17(3)14-19/h7-9,14-16,18H,10-13H2,1-6H3,(H,25,29)
InChIKeyOIOVOZJOKOUVOK-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.31
Rot. Bonds4

About N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 112830966) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID112830966
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(C(=O)C(C)C)CC2)c1
InChIInChI=1S/C24H34N4O2/c1-16(2)23(30)27-12-10-18(11-13-27)22(29)25-21-15-20(24(4,5)6)26-28(21)19-9-7-8-17(3)14-19/h7-9,14-16,18H,10-13H2,1-6H3,(H,25,29)
InChIKeyOIOVOZJOKOUVOK-UHFFFAOYSA-N
XLogP4.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55763854
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 112830981
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]urea
CID 69110777
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
CID 42731406
1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2-hydroxyethyl)urea
CID 48741757
1-(2-methylpropanoyl)-N-(2-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 146091632
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-[[1-(2-phenylpropanoyl)piperidin-4-yl]methyl]phenyl]urea
CID 68823740
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N'-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-N-(2-piperidin-1-ylethyl)butanediamide
CID 5145991
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 55647721
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide
CID 154806807
1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122075912

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 112830966) is N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(C(=O)C(C)C)CC2)c1.
What is the InChIKey of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is OIOVOZJOKOUVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-16(2)23(30)27-12-10-18(11-13-27)22(29)25-21-15-20(24(4,5)6)26-28(21)19-9-7-8-17(3)14-19/h7-9,14-16,18H,10-13H2,1-6H3,(H,25,29).
What are the key properties of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 112830966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).