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

C11H7ClFN3 — CID 16767663

IUPAC5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C#N
InChIInChI=1S/C11H7ClFN3/c1-7-10(6-14)11(12)16(15-7)9-4-2-8(13)3-5-9/h2-5H,1H3
InChIKeyBDNYBUKJHSDZFJ-UHFFFAOYSA-N
MW235.65 g/mol
LogP2.84
Rot. Bonds1

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

5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile (PubChem CID 16767663) has the molecular formula C11H7ClFN3 and a molecular weight of 235.65 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile
PubChem CID16767663
Molecular FormulaC11H7ClFN3
Molecular Weight235.65 g/mol
Exact Mass235.03
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C#N
InChIInChI=1S/C11H7ClFN3/c1-7-10(6-14)11(12)16(15-7)9-4-2-8(13)3-5-9/h2-5H,1H3
InChIKeyBDNYBUKJHSDZFJ-UHFFFAOYSA-N
XLogP2.84
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile (CID 16767663) is 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C#N.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile?
The InChIKey is BDNYBUKJHSDZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3/c1-7-10(6-14)11(12)16(15-7)9-4-2-8(13)3-5-9/h2-5H,1H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile?
5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile has a molecular weight of 235.65 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 16767663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).