N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide

C5H6FN3O — CID 141335326

IUPACN-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
SMILESO=CN(CF)c1cn[nH]c1
InChIInChI=1S/C5H6FN3O/c6-3-9(4-10)5-1-7-8-2-5/h1-2,4H,3H2,(H,7,8)
InChIKeyOBZPSGSLKQANGT-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.30
Rot. Bonds3

About N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide

N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide (PubChem CID 141335326) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide.

Molecular Properties

Compound NameN-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
PubChem CID141335326
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC NameN-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
SMILESO=CN(CF)c1cn[nH]c1
InChIInChI=1S/C5H6FN3O/c6-3-9(4-10)5-1-7-8-2-5/h1-2,4H,3H2,(H,7,8)
InChIKeyOBZPSGSLKQANGT-UHFFFAOYSA-N
XLogP0.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide?
The IUPAC name of N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide (CID 141335326) is N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide.
What is the SMILES notation for N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide?
The canonical SMILES for N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide is O=CN(CF)c1cn[nH]c1.
What is the InChIKey of N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide?
The InChIKey is OBZPSGSLKQANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c6-3-9(4-10)5-1-7-8-2-5/h1-2,4H,3H2,(H,7,8).
What are the key properties of N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide?
N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide has a molecular weight of 143.12 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide is sourced from PubChem (CID 141335326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).