1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole

C12H18N4 — CID 58621517

IUPAC1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole
SMILESCCCc1nn(-c2cnc(C)n2C)cc1C
InChIInChI=1S/C12H18N4/c1-5-6-11-9(2)8-16(14-11)12-7-13-10(3)15(12)4/h7-8H,5-6H2,1-4H3
InChIKeyRNXPAIBLBRUCNT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.18
Rot. Bonds3

About 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole

1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole (PubChem CID 58621517) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole
PubChem CID58621517
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole
SMILESCCCc1nn(-c2cnc(C)n2C)cc1C
InChIInChI=1S/C12H18N4/c1-5-6-11-9(2)8-16(14-11)12-7-13-10(3)15(12)4/h7-8H,5-6H2,1-4H3
InChIKeyRNXPAIBLBRUCNT-UHFFFAOYSA-N
XLogP2.18
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole?
The IUPAC name of 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole (CID 58621517) is 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole.
What is the SMILES notation for 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole?
The canonical SMILES for 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole is CCCc1nn(-c2cnc(C)n2C)cc1C.
What is the InChIKey of 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole?
The InChIKey is RNXPAIBLBRUCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-6-11-9(2)8-16(14-11)12-7-13-10(3)15(12)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole?
1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole has a molecular weight of 218.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(4-methyl-3-propylpyrazol-1-yl)imidazole is sourced from PubChem (CID 58621517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).