3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile

C17H14FN5O2 — CID 164719465

IUPAC3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile
SMILESCC(O)c1cc(F)ccc1-n1nccc1C(=O)c1cc(C#N)n(C)n1
InChIInChI=1S/C17H14FN5O2/c1-10(24)13-7-11(18)3-4-15(13)23-16(5-6-20-23)17(25)14-8-12(9-19)22(2)21-14/h3-8,10,24H,1-2H3
InChIKeyVPPUGJANWJSFPJ-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.90
Rot. Bonds4

About 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile

3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile (PubChem CID 164719465) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile
PubChem CID164719465
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile
SMILESCC(O)c1cc(F)ccc1-n1nccc1C(=O)c1cc(C#N)n(C)n1
InChIInChI=1S/C17H14FN5O2/c1-10(24)13-7-11(18)3-4-15(13)23-16(5-6-20-23)17(25)14-8-12(9-19)22(2)21-14/h3-8,10,24H,1-2H3
InChIKeyVPPUGJANWJSFPJ-UHFFFAOYSA-N
XLogP1.90
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile?
The IUPAC name of 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile (CID 164719465) is 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile.
What is the SMILES notation for 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile?
The canonical SMILES for 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile is CC(O)c1cc(F)ccc1-n1nccc1C(=O)c1cc(C#N)n(C)n1.
What is the InChIKey of 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile?
The InChIKey is VPPUGJANWJSFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-10(24)13-7-11(18)3-4-15(13)23-16(5-6-20-23)17(25)14-8-12(9-19)22(2)21-14/h3-8,10,24H,1-2H3.
What are the key properties of 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile?
3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile has a molecular weight of 339.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile is sourced from PubChem (CID 164719465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).