1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

C17H16FN3 — CID 43486021

IUPAC1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)c1ccccc1F
InChIInChI=1S/C17H16FN3/c1-19-17(15-9-5-6-10-16(15)18)13-11-20-21(12-13)14-7-3-2-4-8-14/h2-12,17,19H,1H3
InChIKeyKACPRUHHXZBMPI-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 43486021) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID43486021
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)c1ccccc1F
InChIInChI=1S/C17H16FN3/c1-19-17(15-9-5-6-10-16(15)18)13-11-20-21(12-13)14-7-3-2-4-8-14/h2-12,17,19H,1H3
InChIKeyKACPRUHHXZBMPI-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
CID 61096147
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486037
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485986
1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 107960678
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole
CID 63441722

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (CID 43486021) is 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is CNC(c1cnn(-c2ccccc2)c1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is KACPRUHHXZBMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-19-17(15-9-5-6-10-16(15)18)13-11-20-21(12-13)14-7-3-2-4-8-14/h2-12,17,19H,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 281.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43486021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).