1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine

C17H15F2N3 — CID 53416526

IUPAC1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine
SMILESCc1c(-c2cc(F)ccc2F)nn(Cc2ccccc2)c1N
InChIInChI=1S/C17H15F2N3/c1-11-16(14-9-13(18)7-8-15(14)19)21-22(17(11)20)10-12-5-3-2-4-6-12/h2-9H,10,20H2,1H3
InChIKeyFYHNYDAYRWXIQQ-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.77
Rot. Bonds3

About 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine

1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine (PubChem CID 53416526) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine
PubChem CID53416526
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine
SMILESCc1c(-c2cc(F)ccc2F)nn(Cc2ccccc2)c1N
InChIInChI=1S/C17H15F2N3/c1-11-16(14-9-13(18)7-8-15(14)19)21-22(17(11)20)10-12-5-3-2-4-6-12/h2-9H,10,20H2,1H3
InChIKeyFYHNYDAYRWXIQQ-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine
CID 53416535
1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
CID 123736359
5-amino-1-benzyl-4-methylpyrazole-3-carboxylic acid
CID 82589961
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63279074
3-benzyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 113228766
2-benzyl-4-(2,4-difluorophenyl)-6-N-[2-(dimethylamino)ethyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668740
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
CID 59281596
1-benzyl-3-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile
CID 164607395
3-benzyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62017944
3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine
CID 113268833
1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine
CID 42873101

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine?
The IUPAC name of 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine (CID 53416526) is 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine is Cc1c(-c2cc(F)ccc2F)nn(Cc2ccccc2)c1N.
What is the InChIKey of 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine?
The InChIKey is FYHNYDAYRWXIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c1-11-16(14-9-13(18)7-8-15(14)19)21-22(17(11)20)10-12-5-3-2-4-6-12/h2-9H,10,20H2,1H3.
What are the key properties of 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine?
1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine has a molecular weight of 299.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 53416526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).