4-fluoro-2-pyrazol-1-ylbenzonitrile

C10H6FN3 — CID 21069916

IUPAC4-fluoro-2-pyrazol-1-ylbenzonitrile
SMILESN#Cc1ccc(F)cc1-n1cccn1
InChIInChI=1S/C10H6FN3/c11-9-3-2-8(7-12)10(6-9)14-5-1-4-13-14/h1-6H
InChIKeyULRMPZVCQGGMCD-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.88
Rot. Bonds1

About 4-fluoro-2-pyrazol-1-ylbenzonitrile

4-fluoro-2-pyrazol-1-ylbenzonitrile (PubChem CID 21069916) has the molecular formula C10H6FN3 and a molecular weight of 187.18 g/mol. Its IUPAC name is 4-fluoro-2-pyrazol-1-ylbenzonitrile.

Molecular Properties

Compound Name4-fluoro-2-pyrazol-1-ylbenzonitrile
PubChem CID21069916
Molecular FormulaC10H6FN3
Molecular Weight187.18 g/mol
Exact Mass187.05
IUPAC Name4-fluoro-2-pyrazol-1-ylbenzonitrile
SMILESN#Cc1ccc(F)cc1-n1cccn1
InChIInChI=1S/C10H6FN3/c11-9-3-2-8(7-12)10(6-9)14-5-1-4-13-14/h1-6H
InChIKeyULRMPZVCQGGMCD-UHFFFAOYSA-N
XLogP1.88
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pyrazol-1-ylbenzonitrile?
The IUPAC name of 4-fluoro-2-pyrazol-1-ylbenzonitrile (CID 21069916) is 4-fluoro-2-pyrazol-1-ylbenzonitrile.
What is the SMILES notation for 4-fluoro-2-pyrazol-1-ylbenzonitrile?
The canonical SMILES for 4-fluoro-2-pyrazol-1-ylbenzonitrile is N#Cc1ccc(F)cc1-n1cccn1.
What is the InChIKey of 4-fluoro-2-pyrazol-1-ylbenzonitrile?
The InChIKey is ULRMPZVCQGGMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3/c11-9-3-2-8(7-12)10(6-9)14-5-1-4-13-14/h1-6H.
What are the key properties of 4-fluoro-2-pyrazol-1-ylbenzonitrile?
4-fluoro-2-pyrazol-1-ylbenzonitrile has a molecular weight of 187.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pyrazol-1-ylbenzonitrile is sourced from PubChem (CID 21069916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).