5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile

C10H6ClFN4 — CID 122131474

IUPAC5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(Cl)ccc2F)c1N
InChIInChI=1S/C10H6ClFN4/c11-7-1-2-8(12)9(3-7)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2
InChIKeyOFLYILCGYWNSOI-UHFFFAOYSA-N
MW236.64 g/mol
LogP2.12
Rot. Bonds1

About 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile

5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile (PubChem CID 122131474) has the molecular formula C10H6ClFN4 and a molecular weight of 236.64 g/mol. Its IUPAC name is 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile
PubChem CID122131474
Molecular FormulaC10H6ClFN4
Molecular Weight236.64 g/mol
Exact Mass236.03
IUPAC Name5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(Cl)ccc2F)c1N
InChIInChI=1S/C10H6ClFN4/c11-7-1-2-8(12)9(3-7)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2
InChIKeyOFLYILCGYWNSOI-UHFFFAOYSA-N
XLogP2.12
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile (CID 122131474) is 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2cc(Cl)ccc2F)c1N.
What is the InChIKey of 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is OFLYILCGYWNSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN4/c11-7-1-2-8(12)9(3-7)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2.
What are the key properties of 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile?
5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 236.64 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 122131474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).