5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile

C11H9FN4 — CID 22309840

IUPAC5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(-c2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C11H9FN4/c1-16-11(14)9(6-13)10(15-16)7-2-4-8(12)5-3-7/h2-5H,14H2,1H3
InChIKeyYRTXOIKUVQNYDR-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.68
Rot. Bonds1

About 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile

5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile (PubChem CID 22309840) has the molecular formula C11H9FN4 and a molecular weight of 216.22 g/mol. Its IUPAC name is 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile
PubChem CID22309840
Molecular FormulaC11H9FN4
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Name5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(-c2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C11H9FN4/c1-16-11(14)9(6-13)10(15-16)7-2-4-8(12)5-3-7/h2-5H,14H2,1H3
InChIKeyYRTXOIKUVQNYDR-UHFFFAOYSA-N
XLogP1.68
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile (CID 22309840) is 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile is Cn1nc(-c2ccc(F)cc2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile?
The InChIKey is YRTXOIKUVQNYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4/c1-16-11(14)9(6-13)10(15-16)7-2-4-8(12)5-3-7/h2-5H,14H2,1H3.
What are the key properties of 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile?
5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile has a molecular weight of 216.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 22309840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).