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

C16H30N4 — CID 64849123

IUPAC5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(Cc2cnn(C)c2)C(C(C)C)CN1
InChIInChI=1S/C16H30N4/c1-12(2)6-15-11-20(16(8-17-15)13(3)4)10-14-7-18-19(5)9-14/h7,9,12-13,15-17H,6,8,10-11H2,1-5H3
InChIKeyALMSBZUAPWRDRJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.26
Rot. Bonds5

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

5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64849123) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
PubChem CID64849123
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(Cc2cnn(C)c2)C(C(C)C)CN1
InChIInChI=1S/C16H30N4/c1-12(2)6-15-11-20(16(8-17-15)13(3)4)10-14-7-18-19(5)9-14/h7,9,12-13,15-17H,6,8,10-11H2,1-5H3
InChIKeyALMSBZUAPWRDRJ-UHFFFAOYSA-N
XLogP2.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459
7-methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64872168
1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104812478
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64849507
3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole
CID 79231922
2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64842153
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
CID 64933854
4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
CID 64939835
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine (CID 64849123) is 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine is CC(C)CC1CN(Cc2cnn(C)c2)C(C(C)C)CN1.
What is the InChIKey of 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is ALMSBZUAPWRDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)6-15-11-20(16(8-17-15)13(3)4)10-14-7-18-19(5)9-14/h7,9,12-13,15-17H,6,8,10-11H2,1-5H3.
What are the key properties of 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine?
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 278.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64849123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).