N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C17H24FN3 — CID 66441880

IUPACN-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)c1c(CNC(C)(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C17H24FN3/c1-12(2)16-13(10-19-17(3,4)5)11-20-21(16)15-9-7-6-8-14(15)18/h6-9,11-12,19H,10H2,1-5H3
InChIKeyWPDUDODRPRRTAR-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.02
Rot. Bonds4

About N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66441880) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66441880
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)c1c(CNC(C)(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C17H24FN3/c1-12(2)16-13(10-19-17(3,4)5)11-20-21(16)15-9-7-6-8-14(15)18/h6-9,11-12,19H,10H2,1-5H3
InChIKeyWPDUDODRPRRTAR-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66441880) is N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)c1c(CNC(C)(C)C)cnn1-c1ccccc1F.
What is the InChIKey of N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WPDUDODRPRRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-12(2)16-13(10-19-17(3,4)5)11-20-21(16)15-9-7-6-8-14(15)18/h6-9,11-12,19H,10H2,1-5H3.
What are the key properties of N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66441880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).