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

C13H15F2N3O — CID 114648782

IUPAC1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1c(OC)cnn1C
InChIInChI=1S/C13H15F2N3O/c1-16-12(8-4-9(14)6-10(15)5-8)13-11(19-3)7-17-18(13)2/h4-7,12,16H,1-3H3
InChIKeyXAHIWQPUIFBCNB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.02
Rot. Bonds4

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

1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 114648782) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID114648782
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1c(OC)cnn1C
InChIInChI=1S/C13H15F2N3O/c1-16-12(8-4-9(14)6-10(15)5-8)13-11(19-3)7-17-18(13)2/h4-7,12,16H,1-3H3
InChIKeyXAHIWQPUIFBCNB-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-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine
CID 112742312
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
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105186368
1-(3-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114647006
N-[(3-bromo-5-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114656391
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 114652591
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047226
1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046950
N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105046994
1-(4-ethylsulfanylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 106848978

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 114648782) is 1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is CNC(c1cc(F)cc(F)c1)c1c(OC)cnn1C.
What is the InChIKey of 1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is XAHIWQPUIFBCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-16-12(8-4-9(14)6-10(15)5-8)13-11(19-3)7-17-18(13)2/h4-7,12,16H,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(3,5-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-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114648782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).