1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

C24H29N3 — CID 102025834

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCc1cc(C)n(/C(=N\c2c(C(C)C)cccc2C(C)C)c2ccccc2)n1
InChIInChI=1S/C24H29N3/c1-16(2)21-13-10-14-22(17(3)4)23(21)25-24(20-11-8-7-9-12-20)27-19(6)15-18(5)26-27/h7-17H,1-6H3/b25-24-
InChIKeyANKVFZOCMVAHLX-IZHYLOQSSA-N
MW359.52 g/mol
LogP6.37
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (PubChem CID 102025834) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
PubChem CID102025834
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCc1cc(C)n(/C(=N\c2c(C(C)C)cccc2C(C)C)c2ccccc2)n1
InChIInChI=1S/C24H29N3/c1-16(2)21-13-10-14-22(17(3)4)23(21)25-24(20-11-8-7-9-12-20)27-19(6)15-18(5)26-27/h7-17H,1-6H3/b25-24-
InChIKeyANKVFZOCMVAHLX-IZHYLOQSSA-N
XLogP6.37
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (CID 102025834) is 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is Cc1cc(C)n(/C(=N\c2c(C(C)C)cccc2C(C)C)c2ccccc2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The InChIKey is ANKVFZOCMVAHLX-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H29N3/c1-16(2)21-13-10-14-22(17(3)4)23(21)25-24(20-11-8-7-9-12-20)27-19(6)15-18(5)26-27/h7-17H,1-6H3/b25-24-.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine has a molecular weight of 359.52 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 102025834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).