N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine

C15H17FN4 — CID 170007897

IUPACN-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine
SMILESC=Nc1cc(-c2ccc(N3CCCC3)cc2F)nn1C
InChIInChI=1S/C15H17FN4/c1-17-15-10-14(18-19(15)2)12-6-5-11(9-13(12)16)20-7-3-4-8-20/h5-6,9-10H,1,3-4,7-8H2,2H3
InChIKeyUFGMGXMQTALYHJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.16
Rot. Bonds3

About N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine

N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine (PubChem CID 170007897) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine.

Molecular Properties

Compound NameN-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine
PubChem CID170007897
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC NameN-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine
SMILESC=Nc1cc(-c2ccc(N3CCCC3)cc2F)nn1C
InChIInChI=1S/C15H17FN4/c1-17-15-10-14(18-19(15)2)12-6-5-11(9-13(12)16)20-7-3-4-8-20/h5-6,9-10H,1,3-4,7-8H2,2H3
InChIKeyUFGMGXMQTALYHJ-UHFFFAOYSA-N
XLogP3.16
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine with MolForge

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
Pyrazole, 5-amino-3-methyl-1-phenethyl-
CID 3040480
3-(3,5-Difluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 43158892
5-phenyl-2-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-imine
CID 54593274
1-benzyl-5-methyl-1H-pyrazol-3-amine
CID 5301150
1-methyl-5-phenyl-1H-pyrazol-3-amine
CID 5324081
5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-amine
CID 14176099
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-fluoro-N'-methylbenzenecarboximidamide
CID 2324519
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-fluoro-N'-methylbenzenecarboximidamide
CID 2324656
3-Ethyl-4-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 16606839

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine?
The IUPAC name of N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine (CID 170007897) is N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine.
What is the SMILES notation for N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine?
The canonical SMILES for N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine is C=Nc1cc(-c2ccc(N3CCCC3)cc2F)nn1C.
What is the InChIKey of N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine?
The InChIKey is UFGMGXMQTALYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-17-15-10-14(18-19(15)2)12-6-5-11(9-13(12)16)20-7-3-4-8-20/h5-6,9-10H,1,3-4,7-8H2,2H3.
What are the key properties of N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine?
N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine has a molecular weight of 272.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-4-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-yl]methanimine is sourced from PubChem (CID 170007897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).