1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine

C19H19F2N3O — CID 56601545

IUPAC1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2F)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H19F2N3O/c1-22-11-17-10-19(25-13-15-4-2-3-5-18(15)21)24(23-17)12-14-6-8-16(20)9-7-14/h2-10,22H,11-13H2,1H3
InChIKeyDMQJRQHOBCDMGX-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.51
Rot. Bonds7

About 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine

1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 56601545) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine
PubChem CID56601545
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2F)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H19F2N3O/c1-22-11-17-10-19(25-13-15-4-2-3-5-18(15)21)24(23-17)12-14-6-8-16(20)9-7-14/h2-10,22H,11-13H2,1H3
InChIKeyDMQJRQHOBCDMGX-UHFFFAOYSA-N
XLogP3.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
1-(2,6-Difluorophenyl)-3-piperidin-4-yloxyindazole
CID 11674313
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622
US11576897, Example 20
CID 56600157
US11576897, Example 30
CID 56600544
US10183913, Example 31
CID 56600545
US10183913, Example 33
CID 56600546
US11576897, Example 34
CID 56600547

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine (CID 56601545) is 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2F)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is DMQJRQHOBCDMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-22-11-17-10-19(25-13-15-4-2-3-5-18(15)21)24(23-17)12-14-6-8-16(20)9-7-14/h2-10,22H,11-13H2,1H3.
What are the key properties of 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine?
1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 343.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 56601545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).