N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

C16H31N5 — CID 61432911

IUPACN-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H31N5/c1-7-17-12-14-13(2)18-19(6)15(14)20-8-10-21(11-9-20)16(3,4)5/h17H,7-12H2,1-6H3
InChIKeyNDJBSHHURHVAOQ-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.76
Rot. Bonds4

About N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 61432911) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID61432911
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H31N5/c1-7-17-12-14-13(2)18-19(6)15(14)20-8-10-21(11-9-20)16(3,4)5/h17H,7-12H2,1-6H3
InChIKeyNDJBSHHURHVAOQ-UHFFFAOYSA-N
XLogP1.76
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (CID 61432911) is N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is NDJBSHHURHVAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-7-17-12-14-13(2)18-19(6)15(14)20-8-10-21(11-9-20)16(3,4)5/h17H,7-12H2,1-6H3.
What are the key properties of N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 293.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 61432911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).