N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine

C17H24FN3 — CID 105143126

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1F)c1cc(C)nn1CC
InChIInChI=1S/C17H24FN3/c1-5-9-19-17(14-10-12(3)7-8-15(14)18)16-11-13(4)20-21(16)6-2/h7-8,10-11,17,19H,5-6,9H2,1-4H3
InChIKeyVCZLQAOYQXPLQY-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.75
Rot. Bonds6

About N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine

N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 105143126) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
PubChem CID105143126
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1F)c1cc(C)nn1CC
InChIInChI=1S/C17H24FN3/c1-5-9-19-17(14-10-12(3)7-8-15(14)18)16-11-13(4)20-21(16)6-2/h7-8,10-11,17,19H,5-6,9H2,1-4H3
InChIKeyVCZLQAOYQXPLQY-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,6-dimethylpyridazin-4-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143284
[(1,3-diethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302786
N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 105119622
N-[(1-ethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 115815758
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105175912
N-[(2-fluoro-5-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065520
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(2-bromo-4-chlorophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 107992992
N-[(2,5-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 63502138
N-[(2,4-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 107945688
N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine (CID 105143126) is N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)ccc1F)c1cc(C)nn1CC.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is VCZLQAOYQXPLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-5-9-19-17(14-10-12(3)7-8-15(14)18)16-11-13(4)20-21(16)6-2/h7-8,10-11,17,19H,5-6,9H2,1-4H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105143126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).