N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine

C20H17F2N3 — CID 169161320

IUPACN-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine
SMILESFC(F)c1cc(N=C(c2ccccc2)c2ccccc2)n(C2CC2)n1
InChIInChI=1S/C20H17F2N3/c21-20(22)17-13-18(25(24-17)16-11-12-16)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16,20H,11-12H2
InChIKeyXZLMGVOSPAVJEV-UHFFFAOYSA-N
MW337.37 g/mol
LogP5.32
Rot. Bonds5

About N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine

N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine (PubChem CID 169161320) has the molecular formula C20H17F2N3 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine
PubChem CID169161320
Molecular FormulaC20H17F2N3
Molecular Weight337.37 g/mol
Exact Mass337.14
IUPAC NameN-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine
SMILESFC(F)c1cc(N=C(c2ccccc2)c2ccccc2)n(C2CC2)n1
InChIInChI=1S/C20H17F2N3/c21-20(22)17-13-18(25(24-17)16-11-12-16)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16,20H,11-12H2
InChIKeyXZLMGVOSPAVJEV-UHFFFAOYSA-N
XLogP5.32
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.37
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine (CID 169161320) is N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine is FC(F)c1cc(N=C(c2ccccc2)c2ccccc2)n(C2CC2)n1.
What is the InChIKey of N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine?
The InChIKey is XZLMGVOSPAVJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3/c21-20(22)17-13-18(25(24-17)16-11-12-16)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16,20H,11-12H2.
What are the key properties of N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine?
N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine has a molecular weight of 337.37 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 169161320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).