1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine

C23H35N5 — CID 120968069

IUPAC1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESCC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C23H35N5/c1-23(2,3)22-20(17-28(25-22)15-19-7-5-4-6-8-19)16-26-12-9-21(18-26)27-13-10-24-11-14-27/h4-8,17,21,24H,9-16,18H2,1-3H3
InChIKeyIBUQJSRQNFAQNO-UHFFFAOYSA-N
MW381.57 g/mol
LogP2.71
Rot. Bonds5

About 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine

1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120968069) has the molecular formula C23H35N5 and a molecular weight of 381.57 g/mol. Its IUPAC name is 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120968069
Molecular FormulaC23H35N5
Molecular Weight381.57 g/mol
Exact Mass381.29
IUPAC Name1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESCC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C23H35N5/c1-23(2,3)22-20(17-28(25-22)15-19-7-5-4-6-8-19)16-26-12-9-21(18-26)27-13-10-24-11-14-27/h4-8,17,21,24H,9-16,18H2,1-3H3
InChIKeyIBUQJSRQNFAQNO-UHFFFAOYSA-N
XLogP2.71
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967671
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]azetidine-3-carboxylic acid
CID 122046896
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 120967494
1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968586
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967780

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine (CID 120968069) is 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine is CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is IBUQJSRQNFAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5/c1-23(2,3)22-20(17-28(25-22)15-19-7-5-4-6-8-19)16-26-12-9-21(18-26)27-13-10-24-11-14-27/h4-8,17,21,24H,9-16,18H2,1-3H3.
What are the key properties of 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 381.57 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120968069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).