2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine

C27H29N3O — CID 51349011

IUPAC2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2c(-c3ccccc3)c(C)nn2-c2ccccc2)cc1CCN(C)C
InChIInChI=1S/C27H29N3O/c1-20-26(21-11-7-5-8-12-21)27(30(28-20)24-13-9-6-10-14-24)23-15-16-25(31-4)22(19-23)17-18-29(2)3/h5-16,19H,17-18H2,1-4H3
InChIKeyOQIWGOXQNBYPLV-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.63
Rot. Bonds7

About 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine

2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine (PubChem CID 51349011) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine
PubChem CID51349011
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2c(-c3ccccc3)c(C)nn2-c2ccccc2)cc1CCN(C)C
InChIInChI=1S/C27H29N3O/c1-20-26(21-11-7-5-8-12-21)27(30(28-20)24-13-9-6-10-14-24)23-15-16-25(31-4)22(19-23)17-18-29(2)3/h5-16,19H,17-18H2,1-4H3
InChIKeyOQIWGOXQNBYPLV-UHFFFAOYSA-N
XLogP5.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine (CID 51349011) is 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine is COc1ccc(-c2c(-c3ccccc3)c(C)nn2-c2ccccc2)cc1CCN(C)C.
What is the InChIKey of 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine?
The InChIKey is OQIWGOXQNBYPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-20-26(21-11-7-5-8-12-21)27(30(28-20)24-13-9-6-10-14-24)23-15-16-25(31-4)22(19-23)17-18-29(2)3/h5-16,19H,17-18H2,1-4H3.
What are the key properties of 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine?
2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine has a molecular weight of 411.55 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(3-methyl-1,4-diphenylpyrazol-5-yl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 51349011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).