5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine

C9H6F3N3 — CID 165499340

IUPAC5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(F)c2F)c1F
InChIInChI=1S/C9H6F3N3/c10-5-3-1-2-4(6(5)11)8-7(12)9(13)15-14-8/h1-3H,(H3,13,14,15)
InChIKeyMKMIKVSIEXKWRL-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.08
Rot. Bonds1

About 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine

5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine (PubChem CID 165499340) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine
PubChem CID165499340
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(F)c2F)c1F
InChIInChI=1S/C9H6F3N3/c10-5-3-1-2-4(6(5)11)8-7(12)9(13)15-14-8/h1-3H,(H3,13,14,15)
InChIKeyMKMIKVSIEXKWRL-UHFFFAOYSA-N
XLogP2.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 62648782
4-(3-chlorophenyl)-5-(2,3-difluorophenyl)-1H-pyrazol-3-amine
CID 62648934
5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine
CID 81477955
5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-amine
CID 62648681
4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine
CID 79754898
5-(2-bromo-6-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499401
5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499403
4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine
CID 114552623
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 107955203
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 81266292

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine (CID 165499340) is 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccc(F)c2F)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine?
The InChIKey is MKMIKVSIEXKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-5-3-1-2-4(6(5)11)8-7(12)9(13)15-14-8/h1-3H,(H3,13,14,15).
What are the key properties of 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine?
5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine has a molecular weight of 213.16 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine is sourced from PubChem (CID 165499340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).