N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide

C5H7FN4 — CID 89419649

IUPACN-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide
SMILESC/N=C/Nc1[nH]ncc1F
InChIInChI=1S/C5H7FN4/c1-7-3-8-5-4(6)2-9-10-5/h2-3H,1H3,(H2,7,8,9,10)
InChIKeyVJEZJDMFEOASIE-UHFFFAOYSA-N
MW142.14 g/mol
LogP0.62
Rot. Bonds2

About N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide

N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide (PubChem CID 89419649) has the molecular formula C5H7FN4 and a molecular weight of 142.14 g/mol. Its IUPAC name is N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide
PubChem CID89419649
Molecular FormulaC5H7FN4
Molecular Weight142.14 g/mol
Exact Mass142.07
IUPAC NameN-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide
SMILESC/N=C/Nc1[nH]ncc1F
InChIInChI=1S/C5H7FN4/c1-7-3-8-5-4(6)2-9-10-5/h2-3H,1H3,(H2,7,8,9,10)
InChIKeyVJEZJDMFEOASIE-UHFFFAOYSA-N
XLogP0.62
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide?
The IUPAC name of N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide (CID 89419649) is N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide?
The canonical SMILES for N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide is C/N=C/Nc1[nH]ncc1F.
What is the InChIKey of N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide?
The InChIKey is VJEZJDMFEOASIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4/c1-7-3-8-5-4(6)2-9-10-5/h2-3H,1H3,(H2,7,8,9,10).
What are the key properties of N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide?
N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide has a molecular weight of 142.14 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide is sourced from PubChem (CID 89419649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).