N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine

C14H16F3N3O — CID 105046994

IUPACN-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1c(F)cc(F)cc1F)c1c(OC)cnn1C
InChIInChI=1S/C14H16F3N3O/c1-4-18-13(14-11(21-3)7-19-20(14)2)12-9(16)5-8(15)6-10(12)17/h5-7,13,18H,4H2,1-3H3
InChIKeyJICRKCKFZWKKFS-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.54
Rot. Bonds5

About N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine

N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine (PubChem CID 105046994) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
PubChem CID105046994
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1c(F)cc(F)cc1F)c1c(OC)cnn1C
InChIInChI=1S/C14H16F3N3O/c1-4-18-13(14-11(21-3)7-19-20(14)2)12-9(16)5-8(15)6-10(12)17/h5-7,13,18H,4H2,1-3H3
InChIKeyJICRKCKFZWKKFS-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105054034
N-[(3-bromo-5-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114656391
N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114651637
N-[(3-fluoro-4-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114647859
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
N-[(3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114646330
N-ethyl-2-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114648626
N-[(2-chloro-4-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114650305
N-[(3-bromo-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660568
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047085

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine (CID 105046994) is N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine is CCNC(c1c(F)cc(F)cc1F)c1c(OC)cnn1C.
What is the InChIKey of N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The InChIKey is JICRKCKFZWKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-4-18-13(14-11(21-3)7-19-20(14)2)12-9(16)5-8(15)6-10(12)17/h5-7,13,18H,4H2,1-3H3.
What are the key properties of N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine has a molecular weight of 299.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 105046994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).