3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole

C19H20N6 — CID 19588224

IUPAC3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccccc3)n2)cnn1C
InChIInChI=1S/C19H20N6/c1-13-16(11-20-23(13)3)18-10-19(17-12-21-24(4)14(17)2)25(22-18)15-8-6-5-7-9-15/h5-12H,1-4H3
InChIKeyJYEFVOXYUQEXSB-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.29
Rot. Bonds3

About 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole

3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole (PubChem CID 19588224) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole.

Molecular Properties

Compound Name3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole
PubChem CID19588224
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccccc3)n2)cnn1C
InChIInChI=1S/C19H20N6/c1-13-16(11-20-23(13)3)18-10-19(17-12-21-24(4)14(17)2)25(22-18)15-8-6-5-7-9-15/h5-12H,1-4H3
InChIKeyJYEFVOXYUQEXSB-UHFFFAOYSA-N
XLogP3.29
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole?
The IUPAC name of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole (CID 19588224) is 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole.
What is the SMILES notation for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole?
The canonical SMILES for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole is Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccccc3)n2)cnn1C.
What is the InChIKey of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole?
The InChIKey is JYEFVOXYUQEXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-13-16(11-20-23(13)3)18-10-19(17-12-21-24(4)14(17)2)25(22-18)15-8-6-5-7-9-15/h5-12H,1-4H3.
What are the key properties of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole?
3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole has a molecular weight of 332.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-phenylpyrazole is sourced from PubChem (CID 19588224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).