1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C7H10F3N3O — CID 82866199

IUPAC1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCn1ccc(CNOCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-13-3-2-6(12-13)4-11-14-5-7(8,9)10/h2-3,11H,4-5H2,1H3
InChIKeyKWCDOJQTHQCOOW-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.00
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82866199) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82866199
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCn1ccc(CNOCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-13-3-2-6(12-13)4-11-14-5-7(8,9)10/h2-3,11H,4-5H2,1H3
InChIKeyKWCDOJQTHQCOOW-UHFFFAOYSA-N
XLogP1.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82872733
N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 19618959
1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147975
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921126
1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 78920807
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882472
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712244
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82866199) is 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine is Cn1ccc(CNOCC(F)(F)F)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is KWCDOJQTHQCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-13-3-2-6(12-13)4-11-14-5-7(8,9)10/h2-3,11H,4-5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 209.17 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82866199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).