1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine

C18H18FN3 — CID 82539980

IUPAC1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(-c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H18FN3/c1-13(20-2)14-8-9-18(19)17(10-14)15-11-21-22(12-15)16-6-4-3-5-7-16/h3-13,20H,1-2H3
InChIKeyLPSAKIPTSAEPHM-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine

1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine (PubChem CID 82539980) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine
PubChem CID82539980
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(-c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H18FN3/c1-13(20-2)14-8-9-18(19)17(10-14)15-11-21-22(12-15)16-6-4-3-5-7-16/h3-13,20H,1-2H3
InChIKeyLPSAKIPTSAEPHM-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181579
4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol
CID 82540521
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83109942
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
CID 63370517
4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole
CID 121383038
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine (CID 82539980) is 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(F)c(-c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine?
The InChIKey is LPSAKIPTSAEPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c1-13(20-2)14-8-9-18(19)17(10-14)15-11-21-22(12-15)16-6-4-3-5-7-16/h3-13,20H,1-2H3.
What are the key properties of 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine?
1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine has a molecular weight of 295.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(1-phenylpyrazol-4-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82539980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).