4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C23H33N5O2 — CID 55763854

IUPAC4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C23H33N5O2/c1-16-8-7-9-18(14-16)28-20(15-19(25-28)23(2,3)4)24-21(29)17-10-12-27(13-11-17)22(30)26(5)6/h7-9,14-15,17H,10-13H2,1-6H3,(H,24,29)
InChIKeyXMPALXWKDCVBSC-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.81
Rot. Bonds3

About 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55763854) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55763854
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C23H33N5O2/c1-16-8-7-9-18(14-16)28-20(15-19(25-28)23(2,3)4)24-21(29)17-10-12-27(13-11-17)22(30)26(5)6/h7-9,14-15,17H,10-13H2,1-6H3,(H,24,29)
InChIKeyXMPALXWKDCVBSC-UHFFFAOYSA-N
XLogP3.81
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 112830966
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 112830981
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
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
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56923353
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide
CID 154806807
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3,3-dimethylbutanamide
CID 42735718
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42735713
tert-butyl N-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]carbamate
CID 101043408
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-N-(3-methylbutyl)benzamide
CID 3951866

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55763854) is 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is XMPALXWKDCVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-16-8-7-9-18(14-16)28-20(15-19(25-28)23(2,3)4)24-21(29)17-10-12-27(13-11-17)22(30)26(5)6/h7-9,14-15,17H,10-13H2,1-6H3,(H,24,29).
What are the key properties of 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55763854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).