5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine

C17H32N4 — CID 103016459

IUPAC5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(CCc2cnn(C)c2)C(C(C)C)CN1
InChIInChI=1S/C17H32N4/c1-13(2)8-16-12-21(17(10-18-16)14(3)4)7-6-15-9-19-20(5)11-15/h9,11,13-14,16-18H,6-8,10,12H2,1-5H3
InChIKeyBLZPYOANTSNYMB-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.31
Rot. Bonds6

About 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine

5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 103016459) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
PubChem CID103016459
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(CCc2cnn(C)c2)C(C(C)C)CN1
InChIInChI=1S/C17H32N4/c1-13(2)8-16-12-21(17(10-18-16)14(3)4)7-6-15-9-19-20(5)11-15/h9,11,13-14,16-18H,6-8,10,12H2,1-5H3
InChIKeyBLZPYOANTSNYMB-UHFFFAOYSA-N
XLogP2.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319
7-methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64872168
4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
CID 64939835
N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
CID 64933854
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64849507
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64934070

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine (CID 103016459) is 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine is CC(C)CC1CN(CCc2cnn(C)c2)C(C(C)C)CN1.
What is the InChIKey of 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is BLZPYOANTSNYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-13(2)8-16-12-21(17(10-18-16)14(3)4)7-6-15-9-19-20(5)11-15/h9,11,13-14,16-18H,6-8,10,12H2,1-5H3.
What are the key properties of 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine?
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 292.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 103016459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).