[1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine

C12H13F3N4O — CID 146195107

IUPAC[1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
SMILESCOc1nc(C(F)(F)F)ccc1Cn1cc(CN)cn1
InChIInChI=1S/C12H13F3N4O/c1-20-11-9(2-3-10(18-11)12(13,14)15)7-19-6-8(4-16)5-17-19/h2-3,5-6H,4,7,16H2,1H3
InChIKeyZRPBYMBNRSSTOO-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.81
Rot. Bonds4

About [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine

[1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine (PubChem CID 146195107) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
PubChem CID146195107
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name[1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
SMILESCOc1nc(C(F)(F)F)ccc1Cn1cc(CN)cn1
InChIInChI=1S/C12H13F3N4O/c1-20-11-9(2-3-10(18-11)12(13,14)15)7-19-6-8(4-16)5-17-19/h2-3,5-6H,4,7,16H2,1H3
InChIKeyZRPBYMBNRSSTOO-UHFFFAOYSA-N
XLogP1.81
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
CID 146194144
[1-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194663
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
CID 62727284
[1-[[3-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146195478
[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194795
[1-[[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194420
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
tert-butyl N-[[1-[[2-acetyl-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 146203555
[1-[[2-prop-1-en-2-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylcarbamic acid
CID 146194133
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
CID 146194080
[1-[(2-methylquinolin-4-yl)methyl]pyrazol-4-yl]methanamine
CID 79241282

Frequently Asked Questions

What is the IUPAC name of [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine (CID 146195107) is [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine is COc1nc(C(F)(F)F)ccc1Cn1cc(CN)cn1.
What is the InChIKey of [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine?
The InChIKey is ZRPBYMBNRSSTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-20-11-9(2-3-10(18-11)12(13,14)15)7-19-6-8(4-16)5-17-19/h2-3,5-6H,4,7,16H2,1H3.
What are the key properties of [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine?
[1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine has a molecular weight of 286.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 146195107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).