1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole

C10H14N4 — CID 58977170

IUPAC1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole
SMILESCC(C)n1ccc(-c2nccn2C)n1
InChIInChI=1S/C10H14N4/c1-8(2)14-6-4-9(12-14)10-11-5-7-13(10)3/h4-8H,1-3H3
InChIKeyPSSDGDVWHXFGTI-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.86
Rot. Bonds2

About 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole

1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole (PubChem CID 58977170) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole
PubChem CID58977170
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole
SMILESCC(C)n1ccc(-c2nccn2C)n1
InChIInChI=1S/C10H14N4/c1-8(2)14-6-4-9(12-14)10-11-5-7-13(10)3/h4-8H,1-3H3
InChIKeyPSSDGDVWHXFGTI-UHFFFAOYSA-N
XLogP1.86
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole?
The IUPAC name of 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole (CID 58977170) is 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole.
What is the SMILES notation for 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole?
The canonical SMILES for 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole is CC(C)n1ccc(-c2nccn2C)n1.
What is the InChIKey of 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole?
The InChIKey is PSSDGDVWHXFGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(2)14-6-4-9(12-14)10-11-5-7-13(10)3/h4-8H,1-3H3.
What are the key properties of 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole?
1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole has a molecular weight of 190.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-propan-2-ylpyrazol-3-yl)imidazole is sourced from PubChem (CID 58977170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).