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

C15H20FN3 — CID 66440670

IUPACN-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-11-12(9-17-15(2,3)4)10-18-19(11)14-8-6-5-7-13(14)16/h5-8,10,17H,9H2,1-4H3
InChIKeyFMOQQBOSWRMOSQ-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.21
Rot. Bonds3

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

N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66440670) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66440670
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1c(CNC(C)(C)C)cnn1-c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-11-12(9-17-15(2,3)4)10-18-19(11)14-8-6-5-7-13(14)16/h5-8,10,17H,9H2,1-4H3
InChIKeyFMOQQBOSWRMOSQ-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.21
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-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66440670) is N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1c(CNC(C)(C)C)cnn1-c1ccccc1F.
What is the InChIKey of N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FMOQQBOSWRMOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11-12(9-17-15(2,3)4)10-18-19(11)14-8-6-5-7-13(14)16/h5-8,10,17H,9H2,1-4H3.
What are the key properties of N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.21, 3 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-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66440670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).