3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole

C16H26N4 — CID 129168674

IUPAC3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole
SMILESCc1nn(CCC(C)c2ccnn2C)c(C)c1C(C)C
InChIInChI=1S/C16H26N4/c1-11(2)16-13(4)18-20(14(16)5)10-8-12(3)15-7-9-17-19(15)6/h7,9,11-12H,8,10H2,1-6H3
InChIKeyRSXWPRXAKWBGOC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.55
Rot. Bonds5

About 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole

3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole (PubChem CID 129168674) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole
PubChem CID129168674
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole
SMILESCc1nn(CCC(C)c2ccnn2C)c(C)c1C(C)C
InChIInChI=1S/C16H26N4/c1-11(2)16-13(4)18-20(14(16)5)10-8-12(3)15-7-9-17-19(15)6/h7,9,11-12H,8,10H2,1-6H3
InChIKeyRSXWPRXAKWBGOC-UHFFFAOYSA-N
XLogP3.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole (CID 129168674) is 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole is Cc1nn(CCC(C)c2ccnn2C)c(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole?
The InChIKey is RSXWPRXAKWBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11(2)16-13(4)18-20(14(16)5)10-8-12(3)15-7-9-17-19(15)6/h7,9,11-12H,8,10H2,1-6H3.
What are the key properties of 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole?
3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole has a molecular weight of 274.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-(2-methylpyrazol-3-yl)butyl]-4-propan-2-ylpyrazole is sourced from PubChem (CID 129168674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).