1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine

C18H33N5 — CID 120967506

IUPAC1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESCc1nn(C(C)(C)C)c(C)c1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H33N5/c1-14-17(15(2)23(20-14)18(3,4)5)13-21-9-6-16(12-21)22-10-7-19-8-11-22/h16,19H,6-13H2,1-5H3
InChIKeyDXAAOGJRODKRLW-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.73
Rot. Bonds3

About 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine

1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120967506) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120967506
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESCc1nn(C(C)(C)C)c(C)c1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H33N5/c1-14-17(15(2)23(20-14)18(3,4)5)13-21-9-6-16(12-21)22-10-7-19-8-11-22/h16,19H,6-13H2,1-5H3
InChIKeyDXAAOGJRODKRLW-UHFFFAOYSA-N
XLogP1.73
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine (CID 120967506) is 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine is Cc1nn(C(C)(C)C)c(C)c1CN1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is DXAAOGJRODKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-14-17(15(2)23(20-14)18(3,4)5)13-21-9-6-16(12-21)22-10-7-19-8-11-22/h16,19H,6-13H2,1-5H3.
What are the key properties of 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 319.50 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120967506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).