1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

C15H20FN3 — CID 105142912

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2ccc(F)c(C)c2)n(C)n1
InChIInChI=1S/C15H20FN3/c1-5-12-9-14(19(4)18-12)15(17-3)11-6-7-13(16)10(2)8-11/h6-9,15,17H,5H2,1-4H3
InChIKeyJMBAWJNLIFHXAS-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.74
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 105142912) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID105142912
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2ccc(F)c(C)c2)n(C)n1
InChIInChI=1S/C15H20FN3/c1-5-12-9-14(19(4)18-12)15(17-3)11-6-7-13(16)10(2)8-11/h6-9,15,17H,5H2,1-4H3
InChIKeyJMBAWJNLIFHXAS-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105145666
[(2,6-difluoro-3-methylphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105330191
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105188038
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105180100
1-(3-cyclobutylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105189517
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
CID 105093037
[(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105308039
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175625

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (CID 105142912) is 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is CCc1cc(C(NC)c2ccc(F)c(C)c2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is JMBAWJNLIFHXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-5-12-9-14(19(4)18-12)15(17-3)11-6-7-13(16)10(2)8-11/h6-9,15,17H,5H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105142912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).