N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide

C15H27N5O — CID 71877055

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)CC2C)n(C(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-11-9-13(20(17-11)15(3,4)5)16-14(21)19-8-7-18(6)10-12(19)2/h9,12H,7-8,10H2,1-6H3,(H,16,21)
InChIKeyCCUJJKKWEOCJCL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.11
Rot. Bonds1

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 71877055) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
PubChem CID71877055
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)CC2C)n(C(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-11-9-13(20(17-11)15(3,4)5)16-14(21)19-8-7-18(6)10-12(19)2/h9,12H,7-8,10H2,1-6H3,(H,16,21)
InChIKeyCCUJJKKWEOCJCL-UHFFFAOYSA-N
XLogP2.11
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide (CID 71877055) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C)CC2C)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is CCUJJKKWEOCJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-9-13(20(17-11)15(3,4)5)16-14(21)19-8-7-18(6)10-12(19)2/h9,12H,7-8,10H2,1-6H3,(H,16,21).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71877055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).