(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C9H10F3N5O — CID 83091773

IUPAC(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1nn(C)cc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N5O/c1-4-5(3-17(2)15-4)6(13)7-14-8(18-16-7)9(10,11)12/h3,6H,13H2,1-2H3
InChIKeyWJQNWQIFOMDNQX-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.18
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 83091773) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID83091773
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1nn(C)cc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N5O/c1-4-5(3-17(2)15-4)6(13)7-14-8(18-16-7)9(10,11)12/h3,6H,13H2,1-2H3
InChIKeyWJQNWQIFOMDNQX-UHFFFAOYSA-N
XLogP1.18
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83091641
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 102803479
(3-propylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66131234
(2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560027
(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43559979
(4-ethoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560016
(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 102803513
3-(1-bromoethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132849221
(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 114937758
(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 113298197
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
2,4-dimethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-amine
CID 114201057

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 83091773) is (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1nn(C)cc1C(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is WJQNWQIFOMDNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-4-5(3-17(2)15-4)6(13)7-14-8(18-16-7)9(10,11)12/h3,6H,13H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 261.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 83091773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).