1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole

C12H18N4 — CID 644841

IUPAC1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C(C)n2nc(C)cc2C)n1
InChIInChI=1S/C12H18N4/c1-8-6-10(3)15(13-8)12(5)16-11(4)7-9(2)14-16/h6-7,12H,1-5H3
InChIKeyXGOAPIRHXNVLFQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds2

About 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole

1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole (PubChem CID 644841) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
PubChem CID644841
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C(C)n2nc(C)cc2C)n1
InChIInChI=1S/C12H18N4/c1-8-6-10(3)15(13-8)12(5)16-11(4)7-9(2)14-16/h6-7,12H,1-5H3
InChIKeyXGOAPIRHXNVLFQ-UHFFFAOYSA-N
XLogP2.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole (CID 644841) is 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole is Cc1cc(C)n(C(C)n2nc(C)cc2C)n1.
What is the InChIKey of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole?
The InChIKey is XGOAPIRHXNVLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-6-10(3)15(13-8)12(5)16-11(4)7-9(2)14-16/h6-7,12H,1-5H3.
What are the key properties of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole?
1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole has a molecular weight of 218.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 644841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).