4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine

C9H5ClF3N3 — CID 117372261

IUPAC4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1c(F)cc(F)c(Cl)c1F
InChIInChI=1S/C9H5ClF3N3/c10-7-5(12)1-4(11)6(8(7)13)3-2-15-16-9(3)14/h1-2H,(H3,14,15,16)
InChIKeyQEMKDDWEVJTOFB-UHFFFAOYSA-N
MW247.61 g/mol
LogP2.73
Rot. Bonds1

About 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine

4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine (PubChem CID 117372261) has the molecular formula C9H5ClF3N3 and a molecular weight of 247.61 g/mol. Its IUPAC name is 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine
PubChem CID117372261
Molecular FormulaC9H5ClF3N3
Molecular Weight247.61 g/mol
Exact Mass247.01
IUPAC Name4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1c(F)cc(F)c(Cl)c1F
InChIInChI=1S/C9H5ClF3N3/c10-7-5(12)1-4(11)6(8(7)13)3-2-15-16-9(3)14/h1-2H,(H3,14,15,16)
InChIKeyQEMKDDWEVJTOFB-UHFFFAOYSA-N
XLogP2.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5-difluorophenol
CID 117468094
2-(5-amino-1H-pyrazol-4-yl)-6-chloro-3,4-difluorophenol
CID 117366441
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117354762
4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117469643
3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117397370
4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117435379
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
CID 117350062

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine (CID 117372261) is 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1c(F)cc(F)c(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is QEMKDDWEVJTOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3/c10-7-5(12)1-4(11)6(8(7)13)3-2-15-16-9(3)14/h1-2H,(H3,14,15,16).
What are the key properties of 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine?
4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 247.61 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117372261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).