2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine

C14H16F3N3O — CID 115069321

IUPAC2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
SMILESCOc1c(CCN)cnn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-21-13-11(6-7-18)8-19-20(13)9-10-2-4-12(5-3-10)14(15,16)17/h2-5,8H,6-7,9,18H2,1H3
InChIKeyZSRBJIKXAJTMPY-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.46
Rot. Bonds5

About 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine

2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine (PubChem CID 115069321) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
PubChem CID115069321
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
SMILESCOc1c(CCN)cnn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-21-13-11(6-7-18)8-19-20(13)9-10-2-4-12(5-3-10)14(15,16)17/h2-5,8H,6-7,9,18H2,1H3
InChIKeyZSRBJIKXAJTMPY-UHFFFAOYSA-N
XLogP2.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine (CID 115069321) is 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine is COc1c(CCN)cnn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine?
The InChIKey is ZSRBJIKXAJTMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-21-13-11(6-7-18)8-19-20(13)9-10-2-4-12(5-3-10)14(15,16)17/h2-5,8H,6-7,9,18H2,1H3.
What are the key properties of 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine?
2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine has a molecular weight of 299.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 115069321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).