5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine

C16H13F2N3 — CID 141340129

IUPAC5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(Nc2cc(-c3c(F)cccc3F)[nH]n2)cc1
InChIInChI=1S/C16H13F2N3/c1-10-5-7-11(8-6-10)19-15-9-14(20-21-15)16-12(17)3-2-4-13(16)18/h2-9H,1H3,(H2,19,20,21)
InChIKeyUKXXEZBURNVZTM-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.41
Rot. Bonds3

About 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine

5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 141340129) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID141340129
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(Nc2cc(-c3c(F)cccc3F)[nH]n2)cc1
InChIInChI=1S/C16H13F2N3/c1-10-5-7-11(8-6-10)19-15-9-14(20-21-15)16-12(17)3-2-4-13(16)18/h2-9H,1H3,(H2,19,20,21)
InChIKeyUKXXEZBURNVZTM-UHFFFAOYSA-N
XLogP4.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071
N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine
CID 63049032
N-(4-fluorophenyl)-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 139405800
N-(4-methylphenyl)-5-trimethylsilyl-1H-pyrazol-3-amine
CID 68624766
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114698096
4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine
CID 139405714
3-(4-methylanilino)-6-sulfanylidene-1H-pyridazine-5-carboxylic acid
CID 117103054
5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 68993437
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide
CID 167856699

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine (CID 141340129) is 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(Nc2cc(-c3c(F)cccc3F)[nH]n2)cc1.
What is the InChIKey of 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is UKXXEZBURNVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-10-5-7-11(8-6-10)19-15-9-14(20-21-15)16-12(17)3-2-4-13(16)18/h2-9H,1H3,(H2,19,20,21).
What are the key properties of 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine?
5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 285.30 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 141340129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).