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

C24H30N6O — CID 112830981

IUPACN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C24H30N6O/c1-17-6-5-7-19(14-17)30-21(15-20(28-30)24(2,3)4)27-23(31)18-8-12-29(13-9-18)22-16-25-10-11-26-22/h5-7,10-11,14-16,18H,8-9,12-13H2,1-4H3,(H,27,31)
InChIKeyMTJQGSSMEATYHJ-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.12
Rot. Bonds4

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

N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 112830981) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID112830981
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C24H30N6O/c1-17-6-5-7-19(14-17)30-21(15-20(28-30)24(2,3)4)27-23(31)18-8-12-29(13-9-18)22-16-25-10-11-26-22/h5-7,10-11,14-16,18H,8-9,12-13H2,1-4H3,(H,27,31)
InChIKeyMTJQGSSMEATYHJ-UHFFFAOYSA-N
XLogP4.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 112830981) is N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is MTJQGSSMEATYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-6-5-7-19(14-17)30-21(15-20(28-30)24(2,3)4)27-23(31)18-8-12-29(13-9-18)22-16-25-10-11-26-22/h5-7,10-11,14-16,18H,8-9,12-13H2,1-4H3,(H,27,31).
What are the key properties of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 112830981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).