4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine

C10H8F3N3O — CID 117359088

IUPAC4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(F)cc(F)c(F)c1-c1cn[nH]c1N
InChIInChI=1S/C10H8F3N3O/c1-17-9-6(12)2-5(11)8(13)7(9)4-3-15-16-10(4)14/h2-3H,1H3,(H3,14,15,16)
InChIKeyYEZHZPLDIWHQMN-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.08
Rot. Bonds2

About 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine

4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117359088) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
PubChem CID117359088
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(F)cc(F)c(F)c1-c1cn[nH]c1N
InChIInChI=1S/C10H8F3N3O/c1-17-9-6(12)2-5(11)8(13)7(9)4-3-15-16-10(4)14/h2-3H,1H3,(H3,14,15,16)
InChIKeyYEZHZPLDIWHQMN-UHFFFAOYSA-N
XLogP2.08
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117397370
4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117416678
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162
3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
CID 117350062
4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117395723
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine
CID 117372261
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-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine (CID 117359088) is 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine is COc1c(F)cc(F)c(F)c1-c1cn[nH]c1N.
What is the InChIKey of 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is YEZHZPLDIWHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-17-9-6(12)2-5(11)8(13)7(9)4-3-15-16-10(4)14/h2-3H,1H3,(H3,14,15,16).
What are the key properties of 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine?
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 243.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117359088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).