[5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

C12H23N5 — CID 28965267

IUPAC[5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCCN1CCN(c2c(CN)c(C)nn2C)CC1
InChIInChI=1S/C12H23N5/c1-4-16-5-7-17(8-6-16)12-11(9-13)10(2)14-15(12)3/h4-9,13H2,1-3H3
InChIKeySLLDMMRCRIJJMB-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.33
Rot. Bonds3

About [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

[5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 28965267) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID28965267
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name[5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCCN1CCN(c2c(CN)c(C)nn2C)CC1
InChIInChI=1S/C12H23N5/c1-4-16-5-7-17(8-6-16)12-11(9-13)10(2)14-15(12)3/h4-9,13H2,1-3H3
InChIKeySLLDMMRCRIJJMB-UHFFFAOYSA-N
XLogP0.33
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (CID 28965267) is [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is CCN1CCN(c2c(CN)c(C)nn2C)CC1.
What is the InChIKey of [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is SLLDMMRCRIJJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-16-5-7-17(8-6-16)12-11(9-13)10(2)14-15(12)3/h4-9,13H2,1-3H3.
What are the key properties of [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 28965267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).