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

C9H10F3N5O — CID 79952858

IUPAC1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(CCC(F)(F)F)no2)c1
InChIInChI=1S/C9H10F3N5O/c10-9(11,12)2-1-7-15-8(18-16-7)5-17-4-6(13)3-14-17/h3-4H,1-2,5,13H2
InChIKeyMSUSEMJYACYCDP-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.39
Rot. Bonds4

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

1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 79952858) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID79952858
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(CCC(F)(F)F)no2)c1
InChIInChI=1S/C9H10F3N5O/c10-9(11,12)2-1-7-15-8(18-16-7)5-17-4-6(13)3-14-17/h3-4H,1-2,5,13H2
InChIKeyMSUSEMJYACYCDP-UHFFFAOYSA-N
XLogP1.39
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 121195122
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CID 131891983
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CID 54595552
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CID 54595553
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CID 61654646
CID 61654646

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 79952858) is 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(CCC(F)(F)F)no2)c1.
What is the InChIKey of 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is MSUSEMJYACYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c10-9(11,12)2-1-7-15-8(18-16-7)5-17-4-6(13)3-14-17/h3-4H,1-2,5,13H2.
What are the key properties of 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 261.21 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 79952858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).