N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

C11H14F3N5O — CID 131891983

IUPACN-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCN(CCCn1cccn1)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C11H14F3N5O/c1-18(5-3-7-19-6-2-4-15-19)8-9-16-10(17-20-9)11(12,13)14/h2,4,6H,3,5,7-8H2,1H3
InChIKeyGEEZYWWXODAPQR-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.81
Rot. Bonds6

About N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (PubChem CID 131891983) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
PubChem CID131891983
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC NameN-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCN(CCCn1cccn1)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C11H14F3N5O/c1-18(5-3-7-19-6-2-4-15-19)8-9-16-10(17-20-9)11(12,13)14/h2,4,6H,3,5,7-8H2,1H3
InChIKeyGEEZYWWXODAPQR-UHFFFAOYSA-N
XLogP1.81
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (CID 131891983) is N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is CN(CCCn1cccn1)Cc1nc(C(F)(F)F)no1.
What is the InChIKey of N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The InChIKey is GEEZYWWXODAPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-18(5-3-7-19-6-2-4-15-19)8-9-16-10(17-20-9)11(12,13)14/h2,4,6H,3,5,7-8H2,1H3.
What are the key properties of N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine has a molecular weight of 289.26 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 131891983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).