1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C18H19FN4 — CID 155531380

IUPAC1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2cn[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN4/c1-23(2)17-9-7-16(8-10-17)20-11-14-12-21-22-18(14)13-3-5-15(19)6-4-13/h3-10,12,20H,11H2,1-2H3,(H,21,22)
InChIKeyJCZIUZBVBPQRJX-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.89
Rot. Bonds5

About 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 155531380) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID155531380
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2cn[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN4/c1-23(2)17-9-7-16(8-10-17)20-11-14-12-21-22-18(14)13-3-5-15(19)6-4-13/h3-10,12,20H,11H2,1-2H3,(H,21,22)
InChIKeyJCZIUZBVBPQRJX-UHFFFAOYSA-N
XLogP3.89
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 155531380) is 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NCc2cn[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is JCZIUZBVBPQRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-23(2)17-9-7-16(8-10-17)20-11-14-12-21-22-18(14)13-3-5-15(19)6-4-13/h3-10,12,20H,11H2,1-2H3,(H,21,22).
What are the key properties of 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 310.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 155531380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).