1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine

C17H16FN3 — CID 53416535

IUPAC1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine
SMILESCc1c(-c2ccccc2F)nn(Cc2ccccc2)c1N
InChIInChI=1S/C17H16FN3/c1-12-16(14-9-5-6-10-15(14)18)20-21(17(12)19)11-13-7-3-2-4-8-13/h2-10H,11,19H2,1H3
InChIKeyXFWQDVWPQBURFP-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.63
Rot. Bonds3

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

1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine (PubChem CID 53416535) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine
PubChem CID53416535
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine
SMILESCc1c(-c2ccccc2F)nn(Cc2ccccc2)c1N
InChIInChI=1S/C17H16FN3/c1-12-16(14-9-5-6-10-15(14)18)20-21(17(12)19)11-13-7-3-2-4-8-13/h2-10H,11,19H2,1H3
InChIKeyXFWQDVWPQBURFP-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2,5-difluorophenyl)-4-methylpyrazol-5-amine
CID 53416526
3-benzyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62017944
2-benzyl-4-(2-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668410
6-N,2-dibenzyl-4-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668411
5-amino-1-benzyl-4-methylpyrazole-3-carboxylic acid
CID 82589961
2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 46133539
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
ethyl 4-[3-amino-2-benzyl-4-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 42808169
2-benzyl-6-N-cyclopentyl-4-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668439
3-benzyl-5-(2,6-difluorophenyl)imidazol-4-amine
CID 62019787
2-benzyl-4-(2-fluorophenyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668430
2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one
CID 25098844

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine?
The IUPAC name of 1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine (CID 53416535) is 1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine is Cc1c(-c2ccccc2F)nn(Cc2ccccc2)c1N.
What is the InChIKey of 1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine?
The InChIKey is XFWQDVWPQBURFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-16(14-9-5-6-10-15(14)18)20-21(17(12)19)11-13-7-3-2-4-8-13/h2-10H,11,19H2,1H3.
What are the key properties of 1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine?
1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine has a molecular weight of 281.33 g/mol, XLogP of 3.63, 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-fluorophenyl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 53416535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).