3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol

C19H22FN5O2 — CID 69093879

IUPAC3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol
SMILESCCOc1ccc(-c2nc(Nc3cnn(CCCO)c3)ncc2C)cc1F
InChIInChI=1S/C19H22FN5O2/c1-3-27-17-6-5-14(9-16(17)20)18-13(2)10-21-19(24-18)23-15-11-22-25(12-15)7-4-8-26/h5-6,9-12,26H,3-4,7-8H2,1-2H3,(H,21,23,24)
InChIKeyWSIGUUFJJWADLT-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.31
Rot. Bonds8

About 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol

3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol (PubChem CID 69093879) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol
PubChem CID69093879
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol
SMILESCCOc1ccc(-c2nc(Nc3cnn(CCCO)c3)ncc2C)cc1F
InChIInChI=1S/C19H22FN5O2/c1-3-27-17-6-5-14(9-16(17)20)18-13(2)10-21-19(24-18)23-15-11-22-25(12-15)7-4-8-26/h5-6,9-12,26H,3-4,7-8H2,1-2H3,(H,21,23,24)
InChIKeyWSIGUUFJJWADLT-UHFFFAOYSA-N
XLogP3.31
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol (CID 69093879) is 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol is CCOc1ccc(-c2nc(Nc3cnn(CCCO)c3)ncc2C)cc1F.
What is the InChIKey of 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol?
The InChIKey is WSIGUUFJJWADLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-3-27-17-6-5-14(9-16(17)20)18-13(2)10-21-19(24-18)23-15-11-22-25(12-15)7-4-8-26/h5-6,9-12,26H,3-4,7-8H2,1-2H3,(H,21,23,24).
What are the key properties of 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol?
3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol has a molecular weight of 371.42 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 69093879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).