1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

C18H17F2N3 — CID 75384284

IUPAC1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(NCc2ccc(F)cc2)c2cccc(F)c2)cn1
InChIInChI=1S/C18H17F2N3/c1-23-12-15(11-22-23)18(14-3-2-4-17(20)9-14)21-10-13-5-7-16(19)8-6-13/h2-9,11-12,18,21H,10H2,1H3
InChIKeyGNZIZVDCFNFBRP-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.58
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 75384284) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID75384284
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC Name1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(NCc2ccc(F)cc2)c2cccc(F)c2)cn1
InChIInChI=1S/C18H17F2N3/c1-23-12-15(11-22-23)18(14-3-2-4-17(20)9-14)21-10-13-5-7-16(19)8-6-13/h2-9,11-12,18,21H,10H2,1H3
InChIKeyGNZIZVDCFNFBRP-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fezolamine
CID 54567
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
(1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273537
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
N-[[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-N',N'-dimethyl-ethane-1,2-diamine
CID 16187218
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16187528

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (CID 75384284) is 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(NCc2ccc(F)cc2)c2cccc(F)c2)cn1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is GNZIZVDCFNFBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-23-12-15(11-22-23)18(14-3-2-4-17(20)9-14)21-10-13-5-7-16(19)8-6-13/h2-9,11-12,18,21H,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 313.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 75384284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).