1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

C14H16F3N3O — CID 105046923

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1)c1c(OC)cnn1C
InChIInChI=1S/C14H16F3N3O/c1-18-12(13-11(21-3)8-19-20(13)2)9-4-6-10(7-5-9)14(15,16)17/h4-8,12,18H,1-3H3
InChIKeyUGWBCHBYZBGNNO-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 105046923) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID105046923
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1)c1c(OC)cnn1C
InChIInChI=1S/C14H16F3N3O/c1-18-12(13-11(21-3)8-19-20(13)2)9-4-6-10(7-5-9)14(15,16)17/h4-8,12,18H,1-3H3
InChIKeyUGWBCHBYZBGNNO-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine (CID 105046923) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(C(F)(F)F)cc1)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UGWBCHBYZBGNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-18-12(13-11(21-3)8-19-20(13)2)9-4-6-10(7-5-9)14(15,16)17/h4-8,12,18H,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 299.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105046923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).