[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

C12H12F3N3 — CID 82482177

IUPAC[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCn1nc(C(F)(F)F)c(CN)c1-c1ccccc1
InChIInChI=1S/C12H12F3N3/c1-18-10(8-5-3-2-4-6-8)9(7-16)11(17-18)12(13,14)15/h2-6H,7,16H2,1H3
InChIKeyYNUGQMLVDLIYJG-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.56
Rot. Bonds2

About [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 82482177) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID82482177
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCn1nc(C(F)(F)F)c(CN)c1-c1ccccc1
InChIInChI=1S/C12H12F3N3/c1-18-10(8-5-3-2-4-6-8)9(7-16)11(17-18)12(13,14)15/h2-6H,7,16H2,1H3
InChIKeyYNUGQMLVDLIYJG-UHFFFAOYSA-N
XLogP2.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 98018921
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504
4-ethyl-1-methyl-5-phenylpyrazole-3-carboxylic acid
CID 105488015
1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole
CID 135065600
[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 59196731
4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
CID 10990409
1-methyl-4-phenyl-5-(trifluoromethyl)imidazole
CID 14024804
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 1476999
4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole
CID 162551704
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 82482177) is [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is Cn1nc(C(F)(F)F)c(CN)c1-c1ccccc1.
What is the InChIKey of [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is YNUGQMLVDLIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-18-10(8-5-3-2-4-6-8)9(7-16)11(17-18)12(13,14)15/h2-6H,7,16H2,1H3.
What are the key properties of [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 82482177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).