2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile

C10H7FN4 — CID 61176963

IUPAC2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1-n1ccc(N)n1
InChIInChI=1S/C10H7FN4/c11-8-2-1-3-9(7(8)6-12)15-5-4-10(13)14-15/h1-5H,(H2,13,14)
InChIKeyLROOBYOVNLTYSQ-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.47
Rot. Bonds1

About 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile

2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile (PubChem CID 61176963) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile
PubChem CID61176963
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1-n1ccc(N)n1
InChIInChI=1S/C10H7FN4/c11-8-2-1-3-9(7(8)6-12)15-5-4-10(13)14-15/h1-5H,(H2,13,14)
InChIKeyLROOBYOVNLTYSQ-UHFFFAOYSA-N
XLogP1.47
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile (CID 61176963) is 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile is N#Cc1c(F)cccc1-n1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile?
The InChIKey is LROOBYOVNLTYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c11-8-2-1-3-9(7(8)6-12)15-5-4-10(13)14-15/h1-5H,(H2,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile?
2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile has a molecular weight of 202.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-6-fluorobenzonitrile is sourced from PubChem (CID 61176963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).