1-propan-2-yl-2-pyrazol-1-ylimidazole

C9H12N4 — CID 58415669

IUPAC1-propan-2-yl-2-pyrazol-1-ylimidazole
SMILESCC(C)n1ccnc1-n1cccn1
InChIInChI=1S/C9H12N4/c1-8(2)12-7-5-10-9(12)13-6-3-4-11-13/h3-8H,1-2H3
InChIKeyHPBDICMOXLIEOM-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.65
Rot. Bonds2

About 1-propan-2-yl-2-pyrazol-1-ylimidazole

1-propan-2-yl-2-pyrazol-1-ylimidazole (PubChem CID 58415669) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-propan-2-yl-2-pyrazol-1-ylimidazole.

Molecular Properties

Compound Name1-propan-2-yl-2-pyrazol-1-ylimidazole
PubChem CID58415669
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-propan-2-yl-2-pyrazol-1-ylimidazole
SMILESCC(C)n1ccnc1-n1cccn1
InChIInChI=1S/C9H12N4/c1-8(2)12-7-5-10-9(12)13-6-3-4-11-13/h3-8H,1-2H3
InChIKeyHPBDICMOXLIEOM-UHFFFAOYSA-N
XLogP1.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-pyrazol-1-ylimidazole?
The IUPAC name of 1-propan-2-yl-2-pyrazol-1-ylimidazole (CID 58415669) is 1-propan-2-yl-2-pyrazol-1-ylimidazole.
What is the SMILES notation for 1-propan-2-yl-2-pyrazol-1-ylimidazole?
The canonical SMILES for 1-propan-2-yl-2-pyrazol-1-ylimidazole is CC(C)n1ccnc1-n1cccn1.
What is the InChIKey of 1-propan-2-yl-2-pyrazol-1-ylimidazole?
The InChIKey is HPBDICMOXLIEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-8(2)12-7-5-10-9(12)13-6-3-4-11-13/h3-8H,1-2H3.
What are the key properties of 1-propan-2-yl-2-pyrazol-1-ylimidazole?
1-propan-2-yl-2-pyrazol-1-ylimidazole has a molecular weight of 176.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-pyrazol-1-ylimidazole is sourced from PubChem (CID 58415669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).