1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole

C13H16N6 — CID 56861793

IUPAC1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
SMILESCc1[nH]cnc1-c1nccn1C(C)c1cnn(C)c1
InChIInChI=1S/C13H16N6/c1-9-12(16-8-15-9)13-14-4-5-19(13)10(2)11-6-17-18(3)7-11/h4-8,10H,1-3H3,(H,15,16)
InChIKeyQLNAONORZHBMPH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.92
Rot. Bonds3

About 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole

1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole (PubChem CID 56861793) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
PubChem CID56861793
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole
SMILESCc1[nH]cnc1-c1nccn1C(C)c1cnn(C)c1
InChIInChI=1S/C13H16N6/c1-9-12(16-8-15-9)13-14-4-5-19(13)10(2)11-6-17-18(3)7-11/h4-8,10H,1-3H3,(H,15,16)
InChIKeyQLNAONORZHBMPH-UHFFFAOYSA-N
XLogP1.92
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The IUPAC name of 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole (CID 56861793) is 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The canonical SMILES for 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole is Cc1[nH]cnc1-c1nccn1C(C)c1cnn(C)c1.
What is the InChIKey of 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
The InChIKey is QLNAONORZHBMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-9-12(16-8-15-9)13-14-4-5-19(13)10(2)11-6-17-18(3)7-11/h4-8,10H,1-3H3,(H,15,16).
What are the key properties of 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole?
1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole has a molecular weight of 256.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrazole is sourced from PubChem (CID 56861793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).