5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide

C13H16FN5 — CID 63752734

IUPAC5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)c1cccc(F)c1
InChIInChI=1S/C13H16FN5/c1-8-11(12(15)16)13(19(3)17-8)18(2)10-6-4-5-9(14)7-10/h4-7H,1-3H3,(H3,15,16)
InChIKeyJZDKATNWTJRSBI-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.92
Rot. Bonds3

About 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide

5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63752734) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63752734
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)c1cccc(F)c1
InChIInChI=1S/C13H16FN5/c1-8-11(12(15)16)13(19(3)17-8)18(2)10-6-4-5-9(14)7-10/h4-7H,1-3H3,(H3,15,16)
InChIKeyJZDKATNWTJRSBI-UHFFFAOYSA-N
XLogP1.92
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.92
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-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide
CID 81293537
5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751036
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752907
5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 113467795
5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751034
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 55242716
5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 103496179
5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 82823681
5-(5-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 114673652
5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 55243489
5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 114949737

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide (CID 63752734) is 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(C)c1cccc(F)c1.
What is the InChIKey of 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is JZDKATNWTJRSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-8-11(12(15)16)13(19(3)17-8)18(2)10-6-4-5-9(14)7-10/h4-7H,1-3H3,(H3,15,16).
What are the key properties of 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide?
5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 261.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63752734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).