(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine

C13H15F2N3O — CID 114657653

IUPAC(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1c(F)cccc1F
InChIInChI=1S/C13H15F2N3O/c1-3-18-13(10(19-2)7-17-18)12(16)11-8(14)5-4-6-9(11)15/h4-7,12H,3,16H2,1-2H3
InChIKeyWSMYAJKZHDFSCL-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.24
Rot. Bonds4

About (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine

(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine (PubChem CID 114657653) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
PubChem CID114657653
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1c(F)cccc1F
InChIInChI=1S/C13H15F2N3O/c1-3-18-13(10(19-2)7-17-18)12(16)11-8(14)5-4-6-9(11)15/h4-7,12H,3,16H2,1-2H3
InChIKeyWSMYAJKZHDFSCL-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
CID 105047835
3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667945
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 114658521
(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine
CID 114651952

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine (CID 114657653) is (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine is CCn1ncc(OC)c1C(N)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The InChIKey is WSMYAJKZHDFSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-3-18-13(10(19-2)7-17-18)12(16)11-8(14)5-4-6-9(11)15/h4-7,12H,3,16H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine has a molecular weight of 267.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine is sourced from PubChem (CID 114657653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).