4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile

C20H19FN4O — CID 90076983

IUPAC4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile
SMILESCC(C)c1nn(-c2ccc(OCc3ccccc3)cc2F)c(C#N)c1N
InChIInChI=1S/C20H19FN4O/c1-13(2)20-19(23)18(11-22)25(24-20)17-9-8-15(10-16(17)21)26-12-14-6-4-3-5-7-14/h3-10,13H,12,23H2,1-2H3
InChIKeyGCNZEJRYADJCQO-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.17
Rot. Bonds5

About 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile

4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile (PubChem CID 90076983) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile
PubChem CID90076983
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile
SMILESCC(C)c1nn(-c2ccc(OCc3ccccc3)cc2F)c(C#N)c1N
InChIInChI=1S/C20H19FN4O/c1-13(2)20-19(23)18(11-22)25(24-20)17-9-8-15(10-16(17)21)26-12-14-6-4-3-5-7-14/h3-10,13H,12,23H2,1-2H3
InChIKeyGCNZEJRYADJCQO-UHFFFAOYSA-N
XLogP4.17
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 118737673
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CID 4882122
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CID 49862153
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CID 218459
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CID 7433470
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CID 3726704
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CID 2838917
CID 2838917

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile?
The IUPAC name of 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile (CID 90076983) is 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile?
The canonical SMILES for 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile is CC(C)c1nn(-c2ccc(OCc3ccccc3)cc2F)c(C#N)c1N.
What is the InChIKey of 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile?
The InChIKey is GCNZEJRYADJCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13(2)20-19(23)18(11-22)25(24-20)17-9-8-15(10-16(17)21)26-12-14-6-4-3-5-7-14/h3-10,13H,12,23H2,1-2H3.
What are the key properties of 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile?
4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile has a molecular weight of 350.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-fluoro-4-phenylmethoxyphenyl)-5-propan-2-ylpyrazole-3-carbonitrile is sourced from PubChem (CID 90076983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).