4-(1H-imidazol-5-yl)-1-methylpyrazole

C7H8N4 — CID 67500785

IUPAC4-(1H-imidazol-5-yl)-1-methylpyrazole
SMILESCn1cc(-c2cnc[nH]2)cn1
InChIInChI=1S/C7H8N4/c1-11-4-6(2-10-11)7-3-8-5-9-7/h2-5H,1H3,(H,8,9)
InChIKeyJFQHJNVAWUUUBN-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.81
Rot. Bonds1

About 4-(1H-imidazol-5-yl)-1-methylpyrazole

4-(1H-imidazol-5-yl)-1-methylpyrazole (PubChem CID 67500785) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-1-methylpyrazole
PubChem CID67500785
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name4-(1H-imidazol-5-yl)-1-methylpyrazole
SMILESCn1cc(-c2cnc[nH]2)cn1
InChIInChI=1S/C7H8N4/c1-11-4-6(2-10-11)7-3-8-5-9-7/h2-5H,1H3,(H,8,9)
InChIKeyJFQHJNVAWUUUBN-UHFFFAOYSA-N
XLogP0.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-1-methylpyrazole?
The IUPAC name of 4-(1H-imidazol-5-yl)-1-methylpyrazole (CID 67500785) is 4-(1H-imidazol-5-yl)-1-methylpyrazole.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-1-methylpyrazole?
The canonical SMILES for 4-(1H-imidazol-5-yl)-1-methylpyrazole is Cn1cc(-c2cnc[nH]2)cn1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-1-methylpyrazole?
The InChIKey is JFQHJNVAWUUUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-11-4-6(2-10-11)7-3-8-5-9-7/h2-5H,1H3,(H,8,9).
What are the key properties of 4-(1H-imidazol-5-yl)-1-methylpyrazole?
4-(1H-imidazol-5-yl)-1-methylpyrazole has a molecular weight of 148.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-1-methylpyrazole is sourced from PubChem (CID 67500785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).