5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile

C10H7FN4 — CID 83396217

IUPAC5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2cc(N)n[nH]2)ccc1F
InChIInChI=1S/C10H7FN4/c11-8-2-1-6(3-7(8)5-12)9-4-10(13)15-14-9/h1-4H,(H3,13,14,15)
InChIKeyYCGAMARMBQIGHV-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.67
Rot. Bonds1

About 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile

5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile (PubChem CID 83396217) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
PubChem CID83396217
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
SMILESN#Cc1cc(-c2cc(N)n[nH]2)ccc1F
InChIInChI=1S/C10H7FN4/c11-8-2-1-6(3-7(8)5-12)9-4-10(13)15-14-9/h1-4H,(H3,13,14,15)
InChIKeyYCGAMARMBQIGHV-UHFFFAOYSA-N
XLogP1.67
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile?
The IUPAC name of 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile (CID 83396217) is 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile is N#Cc1cc(-c2cc(N)n[nH]2)ccc1F.
What is the InChIKey of 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile?
The InChIKey is YCGAMARMBQIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c11-8-2-1-6(3-7(8)5-12)9-4-10(13)15-14-9/h1-4H,(H3,13,14,15).
What are the key properties of 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile?
5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile has a molecular weight of 202.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 83396217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).