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

C14H17F2N3O — CID 114651637

IUPACN-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)c1c(OC)cnn1C
InChIInChI=1S/C14H17F2N3O/c1-4-17-13(10-7-9(15)5-6-11(10)16)14-12(20-3)8-18-19(14)2/h5-8,13,17H,4H2,1-3H3
InChIKeyBGQRCGLYHOILBS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.41
Rot. Bonds5

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

N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 114651637) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID114651637
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)c1c(OC)cnn1C
InChIInChI=1S/C14H17F2N3O/c1-4-17-13(10-7-9(15)5-6-11(10)16)14-12(20-3)8-18-19(14)2/h5-8,13,17H,4H2,1-3H3
InChIKeyBGQRCGLYHOILBS-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105046994
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
N-[(2-chloro-4-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114650305
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176578
N-[(3-bromo-5-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114656391
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
N-[(3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114646330
[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645117
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
N-ethyl-2-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114648626
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine (CID 114651637) is N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)c1c(OC)cnn1C.
What is the InChIKey of N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is BGQRCGLYHOILBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-4-17-13(10-7-9(15)5-6-11(10)16)14-12(20-3)8-18-19(14)2/h5-8,13,17H,4H2,1-3H3.
What are the key properties of N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114651637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).