1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole

C9H12N4 — CID 131018890

IUPAC1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole
SMILESCc1nccn1Cc1ccnn1C
InChIInChI=1S/C9H12N4/c1-8-10-5-6-13(8)7-9-3-4-11-12(9)2/h3-6H,7H2,1-2H3
InChIKeyLATREKCMNOPNNN-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.97
Rot. Bonds2

About 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole

1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole (PubChem CID 131018890) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole
PubChem CID131018890
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole
SMILESCc1nccn1Cc1ccnn1C
InChIInChI=1S/C9H12N4/c1-8-10-5-6-13(8)7-9-3-4-11-12(9)2/h3-6H,7H2,1-2H3
InChIKeyLATREKCMNOPNNN-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 114554203
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955654
1-benzyl-2-methylimidazole
CID 158634472
4-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106573735
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline
CID 103002374
3,4-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazole
CID 60968456
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
CID 66400746
5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole
CID 66150644
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole?
The IUPAC name of 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole (CID 131018890) is 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole is Cc1nccn1Cc1ccnn1C.
What is the InChIKey of 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole?
The InChIKey is LATREKCMNOPNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-8-10-5-6-13(8)7-9-3-4-11-12(9)2/h3-6H,7H2,1-2H3.
What are the key properties of 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole?
1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole has a molecular weight of 176.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 131018890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).