[[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol

C15H19FN4O2 — CID 129156253

IUPAC[[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESC=Cc1nn(-c2cncc(F)c2)cc1NC(O)OC(C)(C)C
InChIInChI=1S/C15H19FN4O2/c1-5-12-13(18-14(21)22-15(2,3)4)9-20(19-12)11-6-10(16)7-17-8-11/h5-9,14,18,21H,1H2,2-4H3
InChIKeyRZSHMWHSMBCXMU-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.55
Rot. Bonds5

About [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol

[[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 129156253) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID129156253
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name[[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESC=Cc1nn(-c2cncc(F)c2)cc1NC(O)OC(C)(C)C
InChIInChI=1S/C15H19FN4O2/c1-5-12-13(18-14(21)22-15(2,3)4)9-20(19-12)11-6-10(16)7-17-8-11/h5-9,14,18,21H,1H2,2-4H3
InChIKeyRZSHMWHSMBCXMU-UHFFFAOYSA-N
XLogP2.55
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol (CID 129156253) is [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol is C=Cc1nn(-c2cncc(F)c2)cc1NC(O)OC(C)(C)C.
What is the InChIKey of [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is RZSHMWHSMBCXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-5-12-13(18-14(21)22-15(2,3)4)9-20(19-12)11-6-10(16)7-17-8-11/h5-9,14,18,21H,1H2,2-4H3.
What are the key properties of [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol?
[[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 306.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 129156253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).