N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine

C19H20FN3 — CID 71968624

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
SMILESCc1c(CNC(c2ccccc2)c2ccc(F)cc2)cnn1C
InChIInChI=1S/C19H20FN3/c1-14-17(13-22-23(14)2)12-21-19(15-6-4-3-5-7-15)16-8-10-18(20)11-9-16/h3-11,13,19,21H,12H2,1-2H3
InChIKeyQYNDBVLHQMIRPO-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.75
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine (PubChem CID 71968624) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
PubChem CID71968624
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
SMILESCc1c(CNC(c2ccccc2)c2ccc(F)cc2)cnn1C
InChIInChI=1S/C19H20FN3/c1-14-17(13-22-23(14)2)12-21-19(15-6-4-3-5-7-15)16-8-10-18(20)11-9-16/h3-11,13,19,21H,12H2,1-2H3
InChIKeyQYNDBVLHQMIRPO-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine (CID 71968624) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine is Cc1c(CNC(c2ccccc2)c2ccc(F)cc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine?
The InChIKey is QYNDBVLHQMIRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-14-17(13-22-23(14)2)12-21-19(15-6-4-3-5-7-15)16-8-10-18(20)11-9-16/h3-11,13,19,21H,12H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine has a molecular weight of 309.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine is sourced from PubChem (CID 71968624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).