4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine

C10H8F3N3 — CID 79194411

IUPAC4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine
SMILESCc1cn(-c2cc(F)c(F)c(F)c2)nc1N
InChIInChI=1S/C10H8F3N3/c1-5-4-16(15-10(5)14)6-2-7(11)9(13)8(12)3-6/h2-4H,1H3,(H2,14,15)
InChIKeyAGXQMNKCAIOREO-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.18
Rot. Bonds1

About 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine

4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine (PubChem CID 79194411) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine
PubChem CID79194411
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine
SMILESCc1cn(-c2cc(F)c(F)c(F)c2)nc1N
InChIInChI=1S/C10H8F3N3/c1-5-4-16(15-10(5)14)6-2-7(11)9(13)8(12)3-6/h2-4H,1H3,(H2,14,15)
InChIKeyAGXQMNKCAIOREO-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-1H-pyrazol-3-amine
CID 1508616
1-Phenylpyrazol-5-ylamine
CID 70006
5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 688685
1-phenyl-1H-pyrazol-3-amine
CID 594320
1-(4-Fluorobenzyl)-1H-pyrazol-3-amine
CID 573281
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
CID 79256
1-(2-Fluoro-benzyl)-1H-pyrazol-3-ylamine
CID 3424808
1-(3-fluorobenzyl)-1H-pyrazol-3-amine
CID 6483868
5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135600410
2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6484139

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine?
The IUPAC name of 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine (CID 79194411) is 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine?
The canonical SMILES for 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine is Cc1cn(-c2cc(F)c(F)c(F)c2)nc1N.
What is the InChIKey of 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine?
The InChIKey is AGXQMNKCAIOREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-5-4-16(15-10(5)14)6-2-7(11)9(13)8(12)3-6/h2-4H,1H3,(H2,14,15).
What are the key properties of 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine?
4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine has a molecular weight of 227.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 79194411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).