4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine

C13H21N5 — CID 106568816

IUPAC4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCc2cn[nH]c2C)n1
InChIInChI=1S/C13H21N5/c1-9(2)7-18-8-10(3)16-13(18)14-5-12-6-15-17-11(12)4/h6,8-9H,5,7H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyHIRZTKZQFFFQEG-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.49
Rot. Bonds5

About 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine

4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine (PubChem CID 106568816) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
PubChem CID106568816
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCc2cn[nH]c2C)n1
InChIInChI=1S/C13H21N5/c1-9(2)7-18-8-10(3)16-13(18)14-5-12-6-15-17-11(12)4/h6,8-9H,5,7H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyHIRZTKZQFFFQEG-UHFFFAOYSA-N
XLogP2.49
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine (CID 106568816) is 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine is Cc1cn(CC(C)C)c(NCc2cn[nH]c2C)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine?
The InChIKey is HIRZTKZQFFFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)7-18-8-10(3)16-13(18)14-5-12-6-15-17-11(12)4/h6,8-9H,5,7H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine has a molecular weight of 247.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106568816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).