[4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol

C18H25FN4O2 — CID 51105258

IUPAC[4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol
SMILESCc1nn(C)c(N2CCOCC2)c1CNCc1ccc(CO)c(F)c1
InChIInChI=1S/C18H25FN4O2/c1-13-16(18(22(2)21-13)23-5-7-25-8-6-23)11-20-10-14-3-4-15(12-24)17(19)9-14/h3-4,9,20,24H,5-8,10-12H2,1-2H3
InChIKeyOOTMPJUSGWGFMC-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.49
Rot. Bonds6

About [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol

[4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol (PubChem CID 51105258) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol
PubChem CID51105258
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name[4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol
SMILESCc1nn(C)c(N2CCOCC2)c1CNCc1ccc(CO)c(F)c1
InChIInChI=1S/C18H25FN4O2/c1-13-16(18(22(2)21-13)23-5-7-25-8-6-23)11-20-10-14-3-4-15(12-24)17(19)9-14/h3-4,9,20,24H,5-8,10-12H2,1-2H3
InChIKeyOOTMPJUSGWGFMC-UHFFFAOYSA-N
XLogP1.49
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol?
The IUPAC name of [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol (CID 51105258) is [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol.
What is the SMILES notation for [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol?
The canonical SMILES for [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol is Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc(CO)c(F)c1.
What is the InChIKey of [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol?
The InChIKey is OOTMPJUSGWGFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-13-16(18(22(2)21-13)23-5-7-25-8-6-23)11-20-10-14-3-4-15(12-24)17(19)9-14/h3-4,9,20,24H,5-8,10-12H2,1-2H3.
What are the key properties of [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol?
[4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol has a molecular weight of 348.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol is sourced from PubChem (CID 51105258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).