1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole

C19H28N6 — CID 12057025

IUPAC1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(C(n2ccc(C(C)C)n2)n2ccc(C(C)C)n2)n1
InChIInChI=1S/C19H28N6/c1-13(2)16-7-10-23(20-16)19(24-11-8-17(21-24)14(3)4)25-12-9-18(22-25)15(5)6/h7-15,19H,1-6H3
InChIKeyUJEDZDVJYHKUAU-UHFFFAOYSA-N
MW340.48 g/mol
LogP4.20
Rot. Bonds6

About 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole

1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole (PubChem CID 12057025) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole
PubChem CID12057025
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(C(n2ccc(C(C)C)n2)n2ccc(C(C)C)n2)n1
InChIInChI=1S/C19H28N6/c1-13(2)16-7-10-23(20-16)19(24-11-8-17(21-24)14(3)4)25-12-9-18(22-25)15(5)6/h7-15,19H,1-6H3
InChIKeyUJEDZDVJYHKUAU-UHFFFAOYSA-N
XLogP4.20
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole?
The IUPAC name of 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole (CID 12057025) is 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole?
The canonical SMILES for 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole is CC(C)c1ccn(C(n2ccc(C(C)C)n2)n2ccc(C(C)C)n2)n1.
What is the InChIKey of 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole?
The InChIKey is UJEDZDVJYHKUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-13(2)16-7-10-23(20-16)19(24-11-8-17(21-24)14(3)4)25-12-9-18(22-25)15(5)6/h7-15,19H,1-6H3.
What are the key properties of 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole?
1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole has a molecular weight of 340.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole is sourced from PubChem (CID 12057025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).