4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile

C10H7FN4 — CID 61176771

IUPAC4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(-n2ccc(N)n2)c(F)c1
InChIInChI=1S/C10H7FN4/c11-8-5-7(6-12)1-2-9(8)15-4-3-10(13)14-15/h1-5H,(H2,13,14)
InChIKeySBZRFFWYYVKJLP-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.47
Rot. Bonds1

About 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile

4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile (PubChem CID 61176771) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile
PubChem CID61176771
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(-n2ccc(N)n2)c(F)c1
InChIInChI=1S/C10H7FN4/c11-8-5-7(6-12)1-2-9(8)15-4-3-10(13)14-15/h1-5H,(H2,13,14)
InChIKeySBZRFFWYYVKJLP-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 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile (CID 61176771) is 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile is N#Cc1ccc(-n2ccc(N)n2)c(F)c1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile?
The InChIKey is SBZRFFWYYVKJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c11-8-5-7(6-12)1-2-9(8)15-4-3-10(13)14-15/h1-5H,(H2,13,14).
What are the key properties of 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile?
4-(3-aminopyrazol-1-yl)-3-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 4-(3-aminopyrazol-1-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 61176771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).