1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine

C13H25N5 — CID 79658848

IUPAC1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(C(NC)C2CN(C)CCN2C)cn1
InChIInChI=1S/C13H25N5/c1-5-18-9-11(8-15-18)13(14-2)12-10-16(3)6-7-17(12)4/h8-9,12-14H,5-7,10H2,1-4H3
InChIKeySSONZNRODZOATR-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.41
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine

1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 79658848) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID79658848
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(C(NC)C2CN(C)CCN2C)cn1
InChIInChI=1S/C13H25N5/c1-5-18-9-11(8-15-18)13(14-2)12-10-16(3)6-7-17(12)4/h8-9,12-14H,5-7,10H2,1-4H3
InChIKeySSONZNRODZOATR-UHFFFAOYSA-N
XLogP0.41
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79658946
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611
tert-butyl 3-[(1-ethylpyrazol-4-yl)-(methylamino)methyl]pyrrolidine-1-carboxylate
CID 107092239
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105108762
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011331
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 81229525
1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143686
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (CID 79658848) is 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is CCn1cc(C(NC)C2CN(C)CCN2C)cn1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is SSONZNRODZOATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-18-9-11(8-15-18)13(14-2)12-10-16(3)6-7-17(12)4/h8-9,12-14H,5-7,10H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 251.38 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 79658848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).