2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine

C16H26N6 — CID 120912226

IUPAC2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine
SMILESCC(C)Cn1cc(CN2CCNCC2c2nccn2C)cn1
InChIInChI=1S/C16H26N6/c1-13(2)10-22-12-14(8-19-22)11-21-7-4-17-9-15(21)16-18-5-6-20(16)3/h5-6,8,12-13,15,17H,4,7,9-11H2,1-3H3
InChIKeyPXRNURMQYUKCMA-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.42
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine

2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 120912226) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine
PubChem CID120912226
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine
SMILESCC(C)Cn1cc(CN2CCNCC2c2nccn2C)cn1
InChIInChI=1S/C16H26N6/c1-13(2)10-22-12-14(8-19-22)11-21-7-4-17-9-15(21)16-18-5-6-20(16)3/h5-6,8,12-13,15,17H,4,7,9-11H2,1-3H3
InChIKeyPXRNURMQYUKCMA-UHFFFAOYSA-N
XLogP1.42
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911966
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
CID 120911862
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669
N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120912459
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911748
3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride
CID 120912179
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine (CID 120912226) is 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine is CC(C)Cn1cc(CN2CCNCC2c2nccn2C)cn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is PXRNURMQYUKCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-13(2)10-22-12-14(8-19-22)11-21-7-4-17-9-15(21)16-18-5-6-20(16)3/h5-6,8,12-13,15,17H,4,7,9-11H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine?
2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 302.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 120912226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).