1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine

C16H26N6 — CID 120911966

IUPAC1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C16H26N6/c1-16(2,3)22-12-13(9-19-22)11-21-8-5-17-10-14(21)15-18-6-7-20(15)4/h6-7,9,12,14,17H,5,8,10-11H2,1-4H3
InChIKeyHNXJXVSCWFZITO-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.52
Rot. Bonds3

About 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine

1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120911966) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120911966
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C16H26N6/c1-16(2,3)22-12-13(9-19-22)11-21-8-5-17-10-14(21)15-18-6-7-20(15)4/h6-7,9,12,14,17H,5,8,10-11H2,1-4H3
InChIKeyHNXJXVSCWFZITO-UHFFFAOYSA-N
XLogP1.52
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine (CID 120911966) is 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1C1CNCCN1Cc1cnn(C(C)(C)C)c1.
What is the InChIKey of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is HNXJXVSCWFZITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-16(2,3)22-12-13(9-19-22)11-21-8-5-17-10-14(21)15-18-6-7-20(15)4/h6-7,9,12,14,17H,5,8,10-11H2,1-4H3.
What are the key properties of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 302.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120911966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).