N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C16H22FN3 — CID 66442082

IUPACN-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C16H22FN3/c1-5-14-12(10-18-16(2,3)4)11-19-20(14)15-9-7-6-8-13(15)17/h6-9,11,18H,5,10H2,1-4H3
InChIKeySVIRIFMTAMMOFS-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.46
Rot. Bonds4

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

N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66442082) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66442082
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C16H22FN3/c1-5-14-12(10-18-16(2,3)4)11-19-20(14)15-9-7-6-8-13(15)17/h6-9,11,18H,5,10H2,1-4H3
InChIKeySVIRIFMTAMMOFS-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66442082) is N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1c(CNC(C)(C)C)cnn1-c1ccccc1F.
What is the InChIKey of N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SVIRIFMTAMMOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-5-14-12(10-18-16(2,3)4)11-19-20(14)15-9-7-6-8-13(15)17/h6-9,11,18H,5,10H2,1-4H3.
What are the key properties of N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66442082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).