3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

C22H32N4O — CID 46105482

IUPAC3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C22H32N4O/c1-22(2,3)18-10-8-17(9-11-18)19-16-20(25(4)24-19)21(27)23-12-15-26-13-6-5-7-14-26/h8-11,16H,5-7,12-15H2,1-4H3,(H,23,27)
InChIKeyTXMCRKPMEPFDJX-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.60
Rot. Bonds5

About 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 46105482) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID46105482
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C22H32N4O/c1-22(2,3)18-10-8-17(9-11-18)19-16-20(25(4)24-19)21(27)23-12-15-26-13-6-5-7-14-26/h8-11,16H,5-7,12-15H2,1-4H3,(H,23,27)
InChIKeyTXMCRKPMEPFDJX-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (CID 46105482) is 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is TXMCRKPMEPFDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-22(2,3)18-10-8-17(9-11-18)19-16-20(25(4)24-19)21(27)23-12-15-26-13-6-5-7-14-26/h8-11,16H,5-7,12-15H2,1-4H3,(H,23,27).
What are the key properties of 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 46105482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).