[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

C11H17N5 — CID 61404931

IUPAC[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCCc1nccn1-c1c(CN)c(C)nn1C
InChIInChI=1S/C11H17N5/c1-4-10-13-5-6-16(10)11-9(7-12)8(2)14-15(11)3/h5-6H,4,7,12H2,1-3H3
InChIKeyFDHYUSPTIRAXLO-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.94
Rot. Bonds3

About [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 61404931) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID61404931
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCCc1nccn1-c1c(CN)c(C)nn1C
InChIInChI=1S/C11H17N5/c1-4-10-13-5-6-16(10)11-9(7-12)8(2)14-15(11)3/h5-6H,4,7,12H2,1-3H3
InChIKeyFDHYUSPTIRAXLO-UHFFFAOYSA-N
XLogP0.94
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (CID 61404931) is [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is CCc1nccn1-c1c(CN)c(C)nn1C.
What is the InChIKey of [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is FDHYUSPTIRAXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-10-13-5-6-16(10)11-9(7-12)8(2)14-15(11)3/h5-6H,4,7,12H2,1-3H3.
What are the key properties of [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 61404931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).