[4-(3-fluoropyrazol-1-yl)phenyl]methanamine

C10H10FN3 — CID 129139637

IUPAC[4-(3-fluoropyrazol-1-yl)phenyl]methanamine
SMILESNCc1ccc(-n2ccc(F)n2)cc1
InChIInChI=1S/C10H10FN3/c11-10-5-6-14(13-10)9-3-1-8(7-12)2-4-9/h1-6H,7,12H2
InChIKeyZFGFCKNCBKUVKX-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.47
Rot. Bonds2

About [4-(3-fluoropyrazol-1-yl)phenyl]methanamine

[4-(3-fluoropyrazol-1-yl)phenyl]methanamine (PubChem CID 129139637) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is [4-(3-fluoropyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoropyrazol-1-yl)phenyl]methanamine
PubChem CID129139637
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name[4-(3-fluoropyrazol-1-yl)phenyl]methanamine
SMILESNCc1ccc(-n2ccc(F)n2)cc1
InChIInChI=1S/C10H10FN3/c11-10-5-6-14(13-10)9-3-1-8(7-12)2-4-9/h1-6H,7,12H2
InChIKeyZFGFCKNCBKUVKX-UHFFFAOYSA-N
XLogP1.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoropyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(3-fluoropyrazol-1-yl)phenyl]methanamine (CID 129139637) is [4-(3-fluoropyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-fluoropyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-fluoropyrazol-1-yl)phenyl]methanamine is NCc1ccc(-n2ccc(F)n2)cc1.
What is the InChIKey of [4-(3-fluoropyrazol-1-yl)phenyl]methanamine?
The InChIKey is ZFGFCKNCBKUVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-10-5-6-14(13-10)9-3-1-8(7-12)2-4-9/h1-6H,7,12H2.
What are the key properties of [4-(3-fluoropyrazol-1-yl)phenyl]methanamine?
[4-(3-fluoropyrazol-1-yl)phenyl]methanamine has a molecular weight of 191.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoropyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 129139637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).