5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide

C14H18FN5 — CID 63752380

IUPAC5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN5/c1-9-12(13(16)17)14(20(3)18-9)19(2)8-10-4-6-11(15)7-5-10/h4-7H,8H2,1-3H3,(H3,16,17)
InChIKeyOCXFMNYGTSHXIE-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.79
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide

5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63752380) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63752380
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN5/c1-9-12(13(16)17)14(20(3)18-9)19(2)8-10-4-6-11(15)7-5-10/h4-7H,8H2,1-3H3,(H3,16,17)
InChIKeyOCXFMNYGTSHXIE-UHFFFAOYSA-N
XLogP1.79
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752734
4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81036488
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752907
1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
CID 79850274
5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 114949737
3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
CID 62684888
5-[benzyl(methyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952062
5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751036
5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751034
1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide
CID 63750874
1,3-dimethyl-5-[methyl(thiophen-3-ylmethyl)amino]pyrazole-4-carbothioamide
CID 63758073
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 55242716

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide (CID 63752380) is 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(C)Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is OCXFMNYGTSHXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-9-12(13(16)17)14(20(3)18-9)19(2)8-10-4-6-11(15)7-5-10/h4-7H,8H2,1-3H3,(H3,16,17).
What are the key properties of 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 275.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63752380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).