3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine

C20H19N5O — CID 78427165

IUPAC3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine
SMILESCc1cc(Oc2c(N)c(C)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c1-14-13-18(24(22-14)16-9-5-3-6-10-16)26-20-19(21)15(2)23-25(20)17-11-7-4-8-12-17/h3-13H,21H2,1-2H3
InChIKeyYOFMWNOJZBRUHV-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.05
Rot. Bonds4

About 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine

3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine (PubChem CID 78427165) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine
PubChem CID78427165
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine
SMILESCc1cc(Oc2c(N)c(C)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c1-14-13-18(24(22-14)16-9-5-3-6-10-16)26-20-19(21)15(2)23-25(20)17-11-7-4-8-12-17/h3-13H,21H2,1-2H3
InChIKeyYOFMWNOJZBRUHV-UHFFFAOYSA-N
XLogP4.05
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine (CID 78427165) is 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine is Cc1cc(Oc2c(N)c(C)nn2-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine?
The InChIKey is YOFMWNOJZBRUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-13-18(24(22-14)16-9-5-3-6-10-16)26-20-19(21)15(2)23-25(20)17-11-7-4-8-12-17/h3-13H,21H2,1-2H3.
What are the key properties of 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine?
3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine has a molecular weight of 345.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-2-phenylpyrazol-3-yl)oxy-1-phenylpyrazol-4-amine is sourced from PubChem (CID 78427165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).