1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine

C17H28N6 — CID 141421977

IUPAC1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCn2cc(-n3ccc(C(C)(C)C)n3)cn2)CC1
InChIInChI=1S/C17H28N6/c1-17(2,3)16-5-6-23(19-16)15-13-18-22(14-15)12-11-21-9-7-20(4)8-10-21/h5-6,13-14H,7-12H2,1-4H3
InChIKeyHCSYFQPEFHFNFE-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.61
Rot. Bonds4

About 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine

1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine (PubChem CID 141421977) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine
PubChem CID141421977
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCn2cc(-n3ccc(C(C)(C)C)n3)cn2)CC1
InChIInChI=1S/C17H28N6/c1-17(2,3)16-5-6-23(19-16)15-13-18-22(14-15)12-11-21-9-7-20(4)8-10-21/h5-6,13-14H,7-12H2,1-4H3
InChIKeyHCSYFQPEFHFNFE-UHFFFAOYSA-N
XLogP1.61
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine (CID 141421977) is 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine is CN1CCN(CCn2cc(-n3ccc(C(C)(C)C)n3)cn2)CC1.
What is the InChIKey of 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine?
The InChIKey is HCSYFQPEFHFNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6/c1-17(2,3)16-5-6-23(19-16)15-13-18-22(14-15)12-11-21-9-7-20(4)8-10-21/h5-6,13-14H,7-12H2,1-4H3.
What are the key properties of 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine?
1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine has a molecular weight of 316.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 141421977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).