1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine

C11H17N5 — CID 63379017

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1cnc[nH]1
InChIInChI=1S/C11H17N5/c1-8(11-6-16(3)15-9(11)2)13-5-10-4-12-7-14-10/h4,6-8,13H,5H2,1-3H3,(H,12,14)
InChIKeyILYKMRMGFMPJQO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.30
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine (PubChem CID 63379017) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine
PubChem CID63379017
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1cnc[nH]1
InChIInChI=1S/C11H17N5/c1-8(11-6-16(3)15-9(11)2)13-5-10-4-12-7-14-10/h4,6-8,13H,5H2,1-3H3,(H,12,14)
InChIKeyILYKMRMGFMPJQO-UHFFFAOYSA-N
XLogP1.30
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine (CID 63379017) is 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine is Cc1nn(C)cc1C(C)NCc1cnc[nH]1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The InChIKey is ILYKMRMGFMPJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(11-6-16(3)15-9(11)2)13-5-10-4-12-7-14-10/h4,6-8,13H,5H2,1-3H3,(H,12,14).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 63379017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).