1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

C13H15F2N3O — CID 105046950

IUPAC1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1F)c1c(OC)cnn1C
InChIInChI=1S/C13H15F2N3O/c1-16-12(8-5-4-6-9(14)11(8)15)13-10(19-3)7-17-18(13)2/h4-7,12,16H,1-3H3
InChIKeyRNVOZBDCCRNOGH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.02
Rot. Bonds4

About 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105046950) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105046950
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1F)c1c(OC)cnn1C
InChIInChI=1S/C13H15F2N3O/c1-16-12(8-5-4-6-9(14)11(8)15)13-10(19-3)7-17-18(13)2/h4-7,12,16H,1-3H3
InChIKeyRNVOZBDCCRNOGH-UHFFFAOYSA-N
XLogP2.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105186196
1-(2-methoxy-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047026
1-(4-chloro-2-methoxyphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046921
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
1-(3-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114647006
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260
[(2,6-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339134
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 114652591

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 105046950) is 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is CNC(c1cccc(F)c1F)c1c(OC)cnn1C.
What is the InChIKey of 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is RNVOZBDCCRNOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-16-12(8-5-4-6-9(14)11(8)15)13-10(19-3)7-17-18(13)2/h4-7,12,16H,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 267.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105046950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).