N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine

C17H24FN3 — CID 61236697

IUPACN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
SMILESCCc1c(C)nn(-c2ccc(CNC(C)C)cc2F)c1C
InChIInChI=1S/C17H24FN3/c1-6-15-12(4)20-21(13(15)5)17-8-7-14(9-16(17)18)10-19-11(2)3/h7-9,11,19H,6,10H2,1-5H3
InChIKeyMXGPTDQCWJEJSV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.69
Rot. Bonds5

About N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine

N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine (PubChem CID 61236697) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
PubChem CID61236697
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
SMILESCCc1c(C)nn(-c2ccc(CNC(C)C)cc2F)c1C
InChIInChI=1S/C17H24FN3/c1-6-15-12(4)20-21(13(15)5)17-8-7-14(9-16(17)18)10-19-11(2)3/h7-9,11,19H,6,10H2,1-5H3
InChIKeyMXGPTDQCWJEJSV-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine (CID 61236697) is N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine is CCc1c(C)nn(-c2ccc(CNC(C)C)cc2F)c1C.
What is the InChIKey of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine?
The InChIKey is MXGPTDQCWJEJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-6-15-12(4)20-21(13(15)5)17-8-7-14(9-16(17)18)10-19-11(2)3/h7-9,11,19H,6,10H2,1-5H3.
What are the key properties of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine?
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 61236697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).