6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C15H13FN4O — CID 56690502

IUPAC6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCc1nn(C)c2c1C(c1ccc(F)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C15H13FN4O/c1-8-12-13(9-3-5-10(16)6-4-9)11(7-17)14(18)21-15(12)20(2)19-8/h3-6,13H,18H2,1-2H3
InChIKeyGHGGSZZQRQFCAA-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.09
Rot. Bonds1

About 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 56690502) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID56690502
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCc1nn(C)c2c1C(c1ccc(F)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C15H13FN4O/c1-8-12-13(9-3-5-10(16)6-4-9)11(7-17)14(18)21-15(12)20(2)19-8/h3-6,13H,18H2,1-2H3
InChIKeyGHGGSZZQRQFCAA-UHFFFAOYSA-N
XLogP2.09
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 56690502) is 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is Cc1nn(C)c2c1C(c1ccc(F)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is GHGGSZZQRQFCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-8-12-13(9-3-5-10(16)6-4-9)11(7-17)14(18)21-15(12)20(2)19-8/h3-6,13H,18H2,1-2H3.
What are the key properties of 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 284.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-fluorophenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 56690502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).