1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol

C16H22FN3O3 — CID 45174022

IUPAC1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
SMILESCCOCC(O)CNCc1cn[nH]c1-c1ccc(OC)c(F)c1
InChIInChI=1S/C16H22FN3O3/c1-3-23-10-13(21)9-18-7-12-8-19-20-16(12)11-4-5-15(22-2)14(17)6-11/h4-6,8,13,18,21H,3,7,9-10H2,1-2H3,(H,19,20)
InChIKeyKWSOBJHIWJDTRU-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.71
Rot. Bonds9

About 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol

1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 45174022) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
PubChem CID45174022
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
SMILESCCOCC(O)CNCc1cn[nH]c1-c1ccc(OC)c(F)c1
InChIInChI=1S/C16H22FN3O3/c1-3-23-10-13(21)9-18-7-12-8-19-20-16(12)11-4-5-15(22-2)14(17)6-11/h4-6,8,13,18,21H,3,7,9-10H2,1-2H3,(H,19,20)
InChIKeyKWSOBJHIWJDTRU-UHFFFAOYSA-N
XLogP1.71
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol (CID 45174022) is 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol is CCOCC(O)CNCc1cn[nH]c1-c1ccc(OC)c(F)c1.
What is the InChIKey of 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The InChIKey is KWSOBJHIWJDTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-3-23-10-13(21)9-18-7-12-8-19-20-16(12)11-4-5-15(22-2)14(17)6-11/h4-6,8,13,18,21H,3,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol has a molecular weight of 323.37 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 45174022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).