N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine

C18H25FN4O — CID 46992155

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
SMILESCC(C)(CN1CCOCC1)NCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-18(2,13-23-7-9-24-10-8-23)20-11-15-12-21-22-17(15)14-3-5-16(19)6-4-14/h3-6,12,20H,7-11,13H2,1-2H3,(H,21,22)
InChIKeyABNSFBSWGBHLLH-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.42
Rot. Bonds6

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine (PubChem CID 46992155) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
PubChem CID46992155
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
SMILESCC(C)(CN1CCOCC1)NCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-18(2,13-23-7-9-24-10-8-23)20-11-15-12-21-22-17(15)14-3-5-16(19)6-4-14/h3-6,12,20H,7-11,13H2,1-2H3,(H,21,22)
InChIKeyABNSFBSWGBHLLH-UHFFFAOYSA-N
XLogP2.42
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine (CID 46992155) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine is CC(C)(CN1CCOCC1)NCc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The InChIKey is ABNSFBSWGBHLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-18(2,13-23-7-9-24-10-8-23)20-11-15-12-21-22-17(15)14-3-5-16(19)6-4-14/h3-6,12,20H,7-11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine has a molecular weight of 332.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 46992155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).