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

C9H10F3N5O — CID 79583533

IUPAC(1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1c(C(N)c2noc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C9H10F3N5O/c1-4-5(3-14-17(4)2)6(13)7-15-8(18-16-7)9(10,11)12/h3,6H,13H2,1-2H3
InChIKeyPVJIDHSRTZRAMR-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.18
Rot. Bonds2

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

(1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 79583533) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID79583533
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1c(C(N)c2noc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C9H10F3N5O/c1-4-5(3-14-17(4)2)6(13)7-15-8(18-16-7)9(10,11)12/h3,6H,13H2,1-2H3
InChIKeyPVJIDHSRTZRAMR-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

N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 46998686
(1R)-2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 97098990
1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 164640436
3-ethyl-5-[(1R)-1-(3-methyl-4-piperidin-4-ylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 177660328
N-[1-(1-methylpyrazol-3-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 175726577
3-[3-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 178710450
3-[3-[1-ethyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 178710559
3-[3-[4-(fluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 178710764
(1S)-1-[3-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 129513023
(1-Methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43559938
[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559996
2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 71914308

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 79583533) is (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1c(C(N)c2noc(C(F)(F)F)n2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is PVJIDHSRTZRAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-4-5(3-14-17(4)2)6(13)7-15-8(18-16-7)9(10,11)12/h3,6H,13H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(1,5-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 (1,5-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 79583533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).