1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole

C22H34N6 — CID 15791962

IUPAC1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole
SMILESCC(C)(C)c1ccn(C(n2ccc(C(C)(C)C)n2)n2ccc(C(C)(C)C)n2)n1
InChIInChI=1S/C22H34N6/c1-20(2,3)16-10-13-26(23-16)19(27-14-11-17(24-27)21(4,5)6)28-15-12-18(25-28)22(7,8)9/h10-15,19H,1-9H3
InChIKeyNKLYYHFLTQUTKY-UHFFFAOYSA-N
MW382.56 g/mol
LogP4.72
Rot. Bonds3

About 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole

1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole (PubChem CID 15791962) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole.

Molecular Properties

Compound Name1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole
PubChem CID15791962
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole
SMILESCC(C)(C)c1ccn(C(n2ccc(C(C)(C)C)n2)n2ccc(C(C)(C)C)n2)n1
InChIInChI=1S/C22H34N6/c1-20(2,3)16-10-13-26(23-16)19(27-14-11-17(24-27)21(4,5)6)28-15-12-18(25-28)22(7,8)9/h10-15,19H,1-9H3
InChIKeyNKLYYHFLTQUTKY-UHFFFAOYSA-N
XLogP4.72
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole?
The IUPAC name of 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole (CID 15791962) is 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole.
What is the SMILES notation for 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole?
The canonical SMILES for 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole is CC(C)(C)c1ccn(C(n2ccc(C(C)(C)C)n2)n2ccc(C(C)(C)C)n2)n1.
What is the InChIKey of 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole?
The InChIKey is NKLYYHFLTQUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-20(2,3)16-10-13-26(23-16)19(27-14-11-17(24-27)21(4,5)6)28-15-12-18(25-28)22(7,8)9/h10-15,19H,1-9H3.
What are the key properties of 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole?
1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole has a molecular weight of 382.56 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-tert-butylpyrazol-1-yl)methyl]-3-tert-butylpyrazole is sourced from PubChem (CID 15791962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).