(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C13H14F3N3 — CID 102758165

IUPAC(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1ccnn1C
InChIInChI=1S/C13H14F3N3/c1-8-7-9(13(14,15)16)3-4-10(8)12(17)11-5-6-18-19(11)2/h3-7,12H,17H2,1-2H3
InChIKeyPDUYDNFMKYEXTM-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.80
Rot. Bonds2

About (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102758165) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102758165
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1ccnn1C
InChIInChI=1S/C13H14F3N3/c1-8-7-9(13(14,15)16)3-4-10(8)12(17)11-5-6-18-19(11)2/h3-7,12H,17H2,1-2H3
InChIKeyPDUYDNFMKYEXTM-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858606
(2,6-dimethyl-3-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148616
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758356
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(2-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105148585
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755136

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102758165) is (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)c1ccnn1C.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PDUYDNFMKYEXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8-7-9(13(14,15)16)3-4-10(8)12(17)11-5-6-18-19(11)2/h3-7,12H,17H2,1-2H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102758165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).