1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole

C13H16N6 — CID 57270442

IUPAC1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole
SMILESCC(Cn1ccnc1)(Cn1cccn1)n1ccnc1
InChIInChI=1S/C13H16N6/c1-13(18-8-5-15-12-18,9-17-7-4-14-11-17)10-19-6-2-3-16-19/h2-8,11-12H,9-10H2,1H3
InChIKeyIZWYQFQKBQIGKE-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.39
Rot. Bonds5

About 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole

1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole (PubChem CID 57270442) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole.

Molecular Properties

Compound Name1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole
PubChem CID57270442
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole
SMILESCC(Cn1ccnc1)(Cn1cccn1)n1ccnc1
InChIInChI=1S/C13H16N6/c1-13(18-8-5-15-12-18,9-17-7-4-14-11-17)10-19-6-2-3-16-19/h2-8,11-12H,9-10H2,1H3
InChIKeyIZWYQFQKBQIGKE-UHFFFAOYSA-N
XLogP1.39
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole?
The IUPAC name of 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole (CID 57270442) is 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole.
What is the SMILES notation for 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole?
The canonical SMILES for 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole is CC(Cn1ccnc1)(Cn1cccn1)n1ccnc1.
What is the InChIKey of 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole?
The InChIKey is IZWYQFQKBQIGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-13(18-8-5-15-12-18,9-17-7-4-14-11-17)10-19-6-2-3-16-19/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole?
1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole has a molecular weight of 256.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-di(imidazol-1-yl)-2-methylpropyl]pyrazole is sourced from PubChem (CID 57270442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).