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

C14H17F2N3 — CID 105150858

IUPAC1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nc(C)cc1C(NC)c1cccc(F)c1F
InChIInChI=1S/C14H17F2N3/c1-4-19-12(8-9(2)18-19)14(17-3)10-6-5-7-11(15)13(10)16/h5-8,14,17H,4H2,1-3H3
InChIKeyBZMVIYBWJQAVNA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.80
Rot. Bonds4

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

1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 105150858) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
PubChem CID105150858
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nc(C)cc1C(NC)c1cccc(F)c1F
InChIInChI=1S/C14H17F2N3/c1-4-19-12(8-9(2)18-19)14(17-3)10-6-5-7-11(15)13(10)16/h5-8,14,17H,4H2,1-3H3
InChIKeyBZMVIYBWJQAVNA-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105164299
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105189437
1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105144094
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105137759
1-(2-ethylpyrazol-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115858049
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105175912
1-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 102803776
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
N-[(2-chlorophenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105099923
[(2-ethyl-5-methylpyrazol-3-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methyl]hydrazine
CID 114270797
N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143126
1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142360

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine (CID 105150858) is 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine is CCn1nc(C)cc1C(NC)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is BZMVIYBWJQAVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-4-19-12(8-9(2)18-19)14(17-3)10-6-5-7-11(15)13(10)16/h5-8,14,17H,4H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine?
1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105150858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).