N-fluoro-1H-pyrazol-4-amine

C3H4FN3 — CID 145171249

IUPACN-fluoro-1H-pyrazol-4-amine
SMILESFNc1cn[nH]c1
InChIInChI=1S/C3H4FN3/c4-7-3-1-5-6-2-3/h1-2,7H,(H,5,6)
InChIKeyMIHFMAIVIYVVBM-UHFFFAOYSA-N
MW101.08 g/mol
LogP0.71
Rot. Bonds1

About N-fluoro-1H-pyrazol-4-amine

N-fluoro-1H-pyrazol-4-amine (PubChem CID 145171249) has the molecular formula C3H4FN3 and a molecular weight of 101.08 g/mol. Its IUPAC name is N-fluoro-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-fluoro-1H-pyrazol-4-amine
PubChem CID145171249
Molecular FormulaC3H4FN3
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC NameN-fluoro-1H-pyrazol-4-amine
SMILESFNc1cn[nH]c1
InChIInChI=1S/C3H4FN3/c4-7-3-1-5-6-2-3/h1-2,7H,(H,5,6)
InChIKeyMIHFMAIVIYVVBM-UHFFFAOYSA-N
XLogP0.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66846919
1H-pyrazol-4-ylcarbamic acid
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CID 43540349
2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide
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2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
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N-(cyclopentylmethyl)-1H-pyrazol-4-amine
CID 62071556
N-(1H-pyrazol-4-yl)propane-2-sulfonamide
CID 60865307
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide
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CID 130600837

Frequently Asked Questions

What is the IUPAC name of N-fluoro-1H-pyrazol-4-amine?
The IUPAC name of N-fluoro-1H-pyrazol-4-amine (CID 145171249) is N-fluoro-1H-pyrazol-4-amine.
What is the SMILES notation for N-fluoro-1H-pyrazol-4-amine?
The canonical SMILES for N-fluoro-1H-pyrazol-4-amine is FNc1cn[nH]c1.
What is the InChIKey of N-fluoro-1H-pyrazol-4-amine?
The InChIKey is MIHFMAIVIYVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3/c4-7-3-1-5-6-2-3/h1-2,7H,(H,5,6).
What are the key properties of N-fluoro-1H-pyrazol-4-amine?
N-fluoro-1H-pyrazol-4-amine has a molecular weight of 101.08 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1H-pyrazol-4-amine is sourced from PubChem (CID 145171249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).