N-(fluoromethyl)-1H-pyrazol-5-amine

C4H6FN3 — CID 141151144

IUPACN-(fluoromethyl)-1H-pyrazol-5-amine
SMILESFCNc1ccn[nH]1
InChIInChI=1S/C4H6FN3/c5-3-6-4-1-2-7-8-4/h1-2H,3H2,(H2,6,7,8)
InChIKeyZKBPJHSVMWTTMC-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.75
Rot. Bonds2

About N-(fluoromethyl)-1H-pyrazol-5-amine

N-(fluoromethyl)-1H-pyrazol-5-amine (PubChem CID 141151144) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is N-(fluoromethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-1H-pyrazol-5-amine
PubChem CID141151144
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC NameN-(fluoromethyl)-1H-pyrazol-5-amine
SMILESFCNc1ccn[nH]1
InChIInChI=1S/C4H6FN3/c5-3-6-4-1-2-7-8-4/h1-2H,3H2,(H2,6,7,8)
InChIKeyZKBPJHSVMWTTMC-UHFFFAOYSA-N
XLogP0.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(fluoromethyl)-1H-pyrazol-5-amine (CID 141151144) is N-(fluoromethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(fluoromethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(fluoromethyl)-1H-pyrazol-5-amine is FCNc1ccn[nH]1.
What is the InChIKey of N-(fluoromethyl)-1H-pyrazol-5-amine?
The InChIKey is ZKBPJHSVMWTTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c5-3-6-4-1-2-7-8-4/h1-2H,3H2,(H2,6,7,8).
What are the key properties of N-(fluoromethyl)-1H-pyrazol-5-amine?
N-(fluoromethyl)-1H-pyrazol-5-amine has a molecular weight of 115.11 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 141151144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).