1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole

C13H20N4 — CID 4196717

IUPAC1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole
SMILESCCn1cc(Cc2cn(CC)nc2C)c(C)n1
InChIInChI=1S/C13H20N4/c1-5-16-8-12(10(3)14-16)7-13-9-17(6-2)15-11(13)4/h8-9H,5-7H2,1-4H3
InChIKeyFABMJIPZSBCRHB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.33
Rot. Bonds4

About 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole

1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole (PubChem CID 4196717) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole
PubChem CID4196717
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole
SMILESCCn1cc(Cc2cn(CC)nc2C)c(C)n1
InChIInChI=1S/C13H20N4/c1-5-16-8-12(10(3)14-16)7-13-9-17(6-2)15-11(13)4/h8-9H,5-7H2,1-4H3
InChIKeyFABMJIPZSBCRHB-UHFFFAOYSA-N
XLogP2.33
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole?
The IUPAC name of 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole (CID 4196717) is 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole.
What is the SMILES notation for 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole?
The canonical SMILES for 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole is CCn1cc(Cc2cn(CC)nc2C)c(C)n1.
What is the InChIKey of 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole?
The InChIKey is FABMJIPZSBCRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-5-16-8-12(10(3)14-16)7-13-9-17(6-2)15-11(13)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole?
1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole has a molecular weight of 232.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole is sourced from PubChem (CID 4196717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).