1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine

C10H16F3N3O — CID 55088322

IUPAC1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine
SMILESCOCC(C)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-8(7-17-2)14-4-6-16-5-3-9(15-16)10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3
InChIKeyLESVWWVSQGMNDV-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.53
Rot. Bonds6

About 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine

1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine (PubChem CID 55088322) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine
PubChem CID55088322
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine
SMILESCOCC(C)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-8(7-17-2)14-4-6-16-5-3-9(15-16)10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3
InChIKeyLESVWWVSQGMNDV-UHFFFAOYSA-N
XLogP1.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine (CID 55088322) is 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine is COCC(C)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine?
The InChIKey is LESVWWVSQGMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-8(7-17-2)14-4-6-16-5-3-9(15-16)10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3.
What are the key properties of 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine?
1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 55088322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).