N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine

C21H23N3O — CID 166161121

IUPACN-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine
SMILESCOCCCn1cc(N=C(c2ccccc2)c2ccccc2)c(C)n1
InChIInChI=1S/C21H23N3O/c1-17-20(16-24(23-17)14-9-15-25-2)22-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16H,9,14-15H2,1-2H3
InChIKeyMXUFQQQWJQQWKK-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.40
Rot. Bonds7

About N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine

N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine (PubChem CID 166161121) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine
PubChem CID166161121
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine
SMILESCOCCCn1cc(N=C(c2ccccc2)c2ccccc2)c(C)n1
InChIInChI=1S/C21H23N3O/c1-17-20(16-24(23-17)14-9-15-25-2)22-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16H,9,14-15H2,1-2H3
InChIKeyMXUFQQQWJQQWKK-UHFFFAOYSA-N
XLogP4.40
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine (CID 166161121) is N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine is COCCCn1cc(N=C(c2ccccc2)c2ccccc2)c(C)n1.
What is the InChIKey of N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine?
The InChIKey is MXUFQQQWJQQWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17-20(16-24(23-17)14-9-15-25-2)22-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,16H,9,14-15H2,1-2H3.
What are the key properties of N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine?
N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine has a molecular weight of 333.44 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 166161121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).